N-[3-[(2-hydroxyphenyl)methylamino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(5-methoxypyrimidin-2-yl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(2-methylpyrimidin-4-yl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(6-methylpyrimidin-4-yl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;5-phenyl-N-[3-[(2-piperidin-1-ylpyrimidin-4-yl)amino]propyl]-1,2-oxazole-3-carboxamide

C96H104N24O12 — CID 158083349

IUPACN-[3-[(2-hydroxyphenyl)methylamino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(5-methoxypyrimidin-2-yl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(2-methylpyrimidin-4-yl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(6-methylpyrimidin-4-yl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;5-phenyl-N-[3-[(2-piperidin-1-ylpyrimidin-4-yl)amino]propyl]-1,2-oxazole-3-carboxamide
SMILESCOc1cnc(NCCCNC(=O)c2cc(-c3ccccc3)on2)nc1.Cc1cc(NCCCNC(=O)c2cc(-c3ccccc3)on2)ncn1.Cc1nccc(NCCCNC(=O)c2cc(-c3ccccc3)on2)n1.O=C(NCCCNCc1ccccc1O)c1cc(-c2ccccc2)on1.O=C(NCCCNc1ccnc(N2CCCCC2)n1)c1cc(-c2ccccc2)on1
InChIInChI=1S/C22H26N6O2.C20H21N3O3.C18H19N5O3.2C18H19N5O2/c29-21(18-16-19(30-27-18)17-8-3-1-4-9-17)24-12-7-11-23-20-10-13-25-22(26-20)28-14-5-2-6-15-28;24-18-10-5-4-9-16(18)14-21-11-6-12-22-20(25)17-13-19(26-23-17)15-7-2-1-3-8-15;1-25-14-11-21-18(22-12-14)20-9-5-8-19-17(24)15-10-16(26-23-15)13-6-3-2-4-7-13;1-13-19-11-8-17(22-13)20-9-5-10-21-18(24)15-12-16(25-23-15)14-6-3-2-4-7-14;1-13-10-17(22-12-21-13)19-8-5-9-20-18(24)15-11-16(25-23-15)14-6-3-2-4-7-14/h1,3-4,8-10,13,16H,2,5-7,11-12,14-15H2,(H,24,29)(H,23,25,26);1-5,7-10,13,21,24H,6,11-12,14H2,(H,22,25);2-4,6-7,10-12H,5,8-9H2,1H3,(H,19,24)(H,20,21,22);2-4,6-8,11-12H,5,9-10H2,1H3,(H,21,24)(H,19,20,22);2-4,6-7,10-12H,5,8-9H2,1H3,(H,20,24)(H,19,21,22)
InChIKeyFNFHANRFGGBLFB-UHFFFAOYSA-N
MW1786.04 g/mol
LogP14.03
Rot. Bonds38

About N-[3-[(2-hydroxyphenyl)methylamino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(5-methoxypyrimidin-2-yl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(2-methylpyrimidin-4-yl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(6-methylpyrimidin-4-yl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;5-phenyl-N-[3-[(2-piperidin-1-ylpyrimidin-4-yl)amino]propyl]-1,2-oxazole-3-carboxamide

N-[3-[(2-hydroxyphenyl)methylamino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(5-methoxypyrimidin-2-yl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(2-methylpyrimidin-4-yl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(6-methylpyrimidin-4-yl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;5-phenyl-N-[3-[(2-piperidin-1-ylpyrimidin-4-yl)amino]propyl]-1,2-oxazole-3-carboxamide (PubChem CID 158083349) has the molecular formula C96H104N24O12 and a molecular weight of 1786.04 g/mol. Its IUPAC name is N-[3-[(2-hydroxyphenyl)methylamino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(5-methoxypyrimidin-2-yl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(2-methylpyrimidin-4-yl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(6-methylpyrimidin-4-yl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;5-phenyl-N-[3-[(2-piperidin-1-ylpyrimidin-4-yl)amino]propyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-[(2-hydroxyphenyl)methylamino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(5-methoxypyrimidin-2-yl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(2-methylpyrimidin-4-yl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(6-methylpyrimidin-4-yl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;5-phenyl-N-[3-[(2-piperidin-1-ylpyrimidin-4-yl)amino]propyl]-1,2-oxazole-3-carboxamide
PubChem CID158083349
Molecular FormulaC96H104N24O12
Molecular Weight1786.04 g/mol
Exact Mass1784.83
IUPAC NameN-[3-[(2-hydroxyphenyl)methylamino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(5-methoxypyrimidin-2-yl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(2-methylpyrimidin-4-yl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(6-methylpyrimidin-4-yl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;5-phenyl-N-[3-[(2-piperidin-1-ylpyrimidin-4-yl)amino]propyl]-1,2-oxazole-3-carboxamide
SMILESCOc1cnc(NCCCNC(=O)c2cc(-c3ccccc3)on2)nc1.Cc1cc(NCCCNC(=O)c2cc(-c3ccccc3)on2)ncn1.Cc1nccc(NCCCNC(=O)c2cc(-c3ccccc3)on2)n1.O=C(NCCCNCc1ccccc1O)c1cc(-c2ccccc2)on1.O=C(NCCCNc1ccnc(N2CCCCC2)n1)c1cc(-c2ccccc2)on1
InChIInChI=1S/C22H26N6O2.C20H21N3O3.C18H19N5O3.2C18H19N5O2/c29-21(18-16-19(30-27-18)17-8-3-1-4-9-17)24-12-7-11-23-20-10-13-25-22(26-20)28-14-5-2-6-15-28;24-18-10-5-4-9-16(18)14-21-11-6-12-22-20(25)17-13-19(26-23-17)15-7-2-1-3-8-15;1-25-14-11-21-18(22-12-14)20-9-5-8-19-17(24)15-10-16(26-23-15)13-6-3-2-4-7-13;1-13-19-11-8-17(22-13)20-9-5-10-21-18(24)15-12-16(25-23-15)14-6-3-2-4-7-14;1-13-10-17(22-12-21-13)19-8-5-9-20-18(24)15-11-16(25-23-15)14-6-3-2-4-7-14/h1,3-4,8-10,13,16H,2,5-7,11-12,14-15H2,(H,24,29)(H,23,25,26);1-5,7-10,13,21,24H,6,11-12,14H2,(H,22,25);2-4,6-7,10-12H,5,8-9H2,1H3,(H,19,24)(H,20,21,22);2-4,6-8,11-12H,5,9-10H2,1H3,(H,21,24)(H,19,20,22);2-4,6-7,10-12H,5,8-9H2,1H3,(H,20,24)(H,19,21,22)
InChIKeyFNFHANRFGGBLFB-UHFFFAOYSA-N
XLogP14.03
TPSA471.62 Ų
H-Bond Donors11
H-Bond Acceptors31
Rotatable Bonds38
Heavy Atoms132
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001786.04
LogP ≤ 514.03
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1031

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[3-[(2-hydroxyphenyl)methylamino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(5-methoxypyrimidin-2-yl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(2-methylpyrimidin-4-yl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(6-methylpyrimidin-4-yl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;5-phenyl-N-[3-[(2-piperidin-1-ylpyrimidin-4-yl)amino]propyl]-1,2-oxazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-[(2-hydroxyphenyl)methylamino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-[(5-methoxypyrimidin-2-yl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-[(2-methylpyrimidin-4-yl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-[(6-methylpyrimidin-4-yl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-[(2-piperidin-1-ylpyrimidin-4-yl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-(pyridin-2-ylmethylamino)propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 157393812
N-[3-[(5-methoxypyrimidin-2-yl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(2-methylpyrimidin-4-yl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(6-methylpyrimidin-4-yl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;5-phenyl-N-[3-[(2-piperidin-1-ylpyrimidin-4-yl)amino]propyl]-1,2-oxazole-3-carboxamide
CID 157468512
N-[3-[(2-hydroxyphenyl)methylamino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-[(5-methoxypyrimidin-2-yl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-[(2-methylpyrimidin-4-yl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-[(6-methylpyrimidin-4-yl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-[(2-piperidin-1-ylpyrimidin-4-yl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-(pyridin-2-ylmethylamino)propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-(pyridin-3-ylmethylamino)propyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 157822669
N-[3-[(5-methoxypyrimidin-2-yl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-[(2-methylpyrimidin-4-yl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-[(6-methylpyrimidin-4-yl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-[(2-piperidin-1-ylpyrimidin-4-yl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 158231183
N-[3-[(1-acetylindol-3-yl)methylamino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(2-hydroxy-4-methylphenyl)methylamino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(2-hydroxyphenyl)methylamino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(4-methylfuran-2-yl)methylamino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(2-methylpyrimidin-4-yl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[1,2-oxazol-4-ylmethyl(2H-pyrrol-4-ylmethyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;5-phenyl-N-[3-[(2-piperidin-1-ylpyrimidin-4-yl)amino]propyl]-1,2-oxazole-3-carboxamide;5-phenyl-N-[3-(2H-pyrrol-4-ylmethylamino)propyl]-1,2-oxazole-3-carboxamide
CID 158367875
N-[3-[(1-acetylindol-3-yl)methylamino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(2-hydroxy-4-methylphenyl)methylamino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(3-hydroxy-4-methylphenyl)methylamino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(2-hydroxyphenyl)methylamino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-(1H-indol-3-ylmethylamino)propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(5-methoxy-3-pyridinyl)methylamino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(2-methyl-1,3-oxazol-5-yl)methylamino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(3-methyl-1,2-oxazol-5-yl)methylamino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;5-phenyl-N-[3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)propyl]-1,2-oxazole-3-carboxamide;5-phenyl-N-[3-(2H-pyrrol-4-ylmethylamino)propyl]-1,2-oxazole-3-carboxamide
CID 159227475
5-[4-[2-[5-(6-Amino-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]phenyl]pyrimidin-2-amine;3-[2-[4-(5-methoxy-3-pyridinyl)phenyl]-3-methylbutan-2-yl]-5-pyrazin-2-yl-1,2,4-oxadiazole;5-[4-[3-methyl-2-[5-(1-methylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]butan-2-yl]phenyl]pyrimidin-2-amine;5-[4-[3-methyl-2-(5-phenyl-1,2,4-oxadiazol-3-yl)butan-2-yl]phenyl]pyrimidin-2-amine
CID 160517835
N-[3-[bis[(2-methyl-1,3-oxazol-5-yl)methyl]amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[bis(pyridin-2-ylmethyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(3-hydroxy-4-methylphenyl)methylamino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-(1H-indol-3-ylmethylamino)propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(2-methyl-1,3-oxazol-5-yl)methylamino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 160702207
(3R)-6-cyclohexyl-N-hydroxy-3-(5-phenyl-1,3-oxazol-2-yl)hexanamide;(3R)-6-cyclohexyl-N-hydroxy-3-(5-pyrazin-2-yl-1,2,4-oxadiazol-3-yl)hexanamide;(3R)-6-cyclohexyl-N-hydroxy-3-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)hexanamide;(3R)-6-cyclohexyl-N-hydroxy-3-(5-pyridin-4-yl-1,3-oxazol-2-yl)hexanamide;(3R)-6-cyclohexyl-N-hydroxy-3-(5-pyrimidin-5-yl-1,2,4-oxadiazol-3-yl)hexanamide
CID 161215570
3-[3-[1-[4-(2-Aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]phenol;4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]phenol;5-[4-[1-[5-[5-[2-methoxyethyl(methyl)amino]pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-[5-(methylamino)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-[5-(propan-2-ylamino)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine
CID 161490327
N-[3-[bis[(2-methyl-1,3-oxazol-5-yl)methyl]amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[bis(pyridin-2-ylmethyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(3-hydroxy-4-methylphenyl)methylamino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-(1H-indol-3-ylmethylamino)propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(5-methoxy-3-pyridinyl)methylamino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(2-methyl-1,3-oxazol-5-yl)methylamino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;5-phenyl-N-[3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)propyl]-1,2-oxazole-3-carboxamide
CID 161569224
N-[3-[(1-acetylindol-3-yl)methylamino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(2-hydroxyphenyl)methylamino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(5-methoxypyrimidin-2-yl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(2-methylpyrimidin-4-yl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(6-methylpyrimidin-4-yl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;5-phenyl-N-[3-[(2-piperidin-1-ylpyrimidin-4-yl)amino]propyl]-1,2-oxazole-3-carboxamide;5-phenyl-N-[3-(2H-pyrrol-4-ylmethylamino)propyl]-1,2-oxazole-3-carboxamide
CID 161585275

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-hydroxyphenyl)methylamino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(5-methoxypyrimidin-2-yl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(2-methylpyrimidin-4-yl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(6-methylpyrimidin-4-yl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;5-phenyl-N-[3-[(2-piperidin-1-ylpyrimidin-4-yl)amino]propyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[3-[(2-hydroxyphenyl)methylamino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(5-methoxypyrimidin-2-yl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(2-methylpyrimidin-4-yl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(6-methylpyrimidin-4-yl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;5-phenyl-N-[3-[(2-piperidin-1-ylpyrimidin-4-yl)amino]propyl]-1,2-oxazole-3-carboxamide (CID 158083349) is N-[3-[(2-hydroxyphenyl)methylamino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(5-methoxypyrimidin-2-yl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(2-methylpyrimidin-4-yl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(6-methylpyrimidin-4-yl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;5-phenyl-N-[3-[(2-piperidin-1-ylpyrimidin-4-yl)amino]propyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[3-[(2-hydroxyphenyl)methylamino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(5-methoxypyrimidin-2-yl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(2-methylpyrimidin-4-yl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(6-methylpyrimidin-4-yl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;5-phenyl-N-[3-[(2-piperidin-1-ylpyrimidin-4-yl)amino]propyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[3-[(2-hydroxyphenyl)methylamino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(5-methoxypyrimidin-2-yl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(2-methylpyrimidin-4-yl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(6-methylpyrimidin-4-yl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;5-phenyl-N-[3-[(2-piperidin-1-ylpyrimidin-4-yl)amino]propyl]-1,2-oxazole-3-carboxamide is COc1cnc(NCCCNC(=O)c2cc(-c3ccccc3)on2)nc1.Cc1cc(NCCCNC(=O)c2cc(-c3ccccc3)on2)ncn1.Cc1nccc(NCCCNC(=O)c2cc(-c3ccccc3)on2)n1.O=C(NCCCNCc1ccccc1O)c1cc(-c2ccccc2)on1.O=C(NCCCNc1ccnc(N2CCCCC2)n1)c1cc(-c2ccccc2)on1.
What is the InChIKey of N-[3-[(2-hydroxyphenyl)methylamino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(5-methoxypyrimidin-2-yl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(2-methylpyrimidin-4-yl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(6-methylpyrimidin-4-yl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;5-phenyl-N-[3-[(2-piperidin-1-ylpyrimidin-4-yl)amino]propyl]-1,2-oxazole-3-carboxamide?
The InChIKey is FNFHANRFGGBLFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O2.C20H21N3O3.C18H19N5O3.2C18H19N5O2/c29-21(18-16-19(30-27-18)17-8-3-1-4-9-17)24-12-7-11-23-20-10-13-25-22(26-20)28-14-5-2-6-15-28;24-18-10-5-4-9-16(18)14-21-11-6-12-22-20(25)17-13-19(26-23-17)15-7-2-1-3-8-15;1-25-14-11-21-18(22-12-14)20-9-5-8-19-17(24)15-10-16(26-23-15)13-6-3-2-4-7-13;1-13-19-11-8-17(22-13)20-9-5-10-21-18(24)15-12-16(25-23-15)14-6-3-2-4-7-14;1-13-10-17(22-12-21-13)19-8-5-9-20-18(24)15-11-16(25-23-15)14-6-3-2-4-7-14/h1,3-4,8-10,13,16H,2,5-7,11-12,14-15H2,(H,24,29)(H,23,25,26);1-5,7-10,13,21,24H,6,11-12,14H2,(H,22,25);2-4,6-7,10-12H,5,8-9H2,1H3,(H,19,24)(H,20,21,22);2-4,6-8,11-12H,5,9-10H2,1H3,(H,21,24)(H,19,20,22);2-4,6-7,10-12H,5,8-9H2,1H3,(H,20,24)(H,19,21,22).
What are the key properties of N-[3-[(2-hydroxyphenyl)methylamino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(5-methoxypyrimidin-2-yl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(2-methylpyrimidin-4-yl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(6-methylpyrimidin-4-yl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;5-phenyl-N-[3-[(2-piperidin-1-ylpyrimidin-4-yl)amino]propyl]-1,2-oxazole-3-carboxamide?
N-[3-[(2-hydroxyphenyl)methylamino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(5-methoxypyrimidin-2-yl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(2-methylpyrimidin-4-yl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(6-methylpyrimidin-4-yl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;5-phenyl-N-[3-[(2-piperidin-1-ylpyrimidin-4-yl)amino]propyl]-1,2-oxazole-3-carboxamide has a molecular weight of 1786.04 g/mol, XLogP of 14.03, 38 rotatable bonds, 11 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-hydroxyphenyl)methylamino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(5-methoxypyrimidin-2-yl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(2-methylpyrimidin-4-yl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(6-methylpyrimidin-4-yl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;5-phenyl-N-[3-[(2-piperidin-1-ylpyrimidin-4-yl)amino]propyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 158083349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).