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-[1,2-oxazol-4-ylmethyl(2H-pyrrol-4-ylmethyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide

C70H73N15O9 — CID 158985184

IUPACN-[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-[1,2-oxazol-4-ylmethyl(2H-pyrrol-4-ylmethyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide
SMILESCc1ncc(CN(CCCNC(=O)c2cc(-c3ccccc3)on2)Cc2cnc(C)o2)o1.O=C(NCCCN(CC1=CCN=C1)Cc1cnoc1)c1cc(-c2ccccc2)on1.O=C(NCCCN(Cc1ccccn1)Cc1ccccn1)c1cc(-c2ccccc2)on1
InChIInChI=1S/C25H25N5O2.C23H25N5O4.C22H23N5O3/c31-25(23-17-24(32-29-23)20-9-2-1-3-10-20)28-15-8-16-30(18-21-11-4-6-13-26-21)19-22-12-5-7-14-27-22;1-16-25-12-19(30-16)14-28(15-20-13-26-17(2)31-20)10-6-9-24-23(29)21-11-22(32-27-21)18-7-4-3-5-8-18;28-22(20-11-21(30-26-20)19-5-2-1-3-6-19)24-8-4-10-27(14-17-7-9-23-12-17)15-18-13-25-29-16-18/h1-7,9-14,17H,8,15-16,18-19H2,(H,28,31);3-5,7-8,11-13H,6,9-10,14-15H2,1-2H3,(H,24,29);1-3,5-7,11-13,16H,4,8-10,14-15H2,(H,24,28)
InChIKeyJPMGUBGIBPXXNQ-UHFFFAOYSA-N
MW1268.45 g/mol
LogP10.67
Rot. Bonds30

About 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-[1,2-oxazol-4-ylmethyl(2H-pyrrol-4-ylmethyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide

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-[1,2-oxazol-4-ylmethyl(2H-pyrrol-4-ylmethyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide (PubChem CID 158985184) has the molecular formula C70H73N15O9 and a molecular weight of 1268.45 g/mol. Its IUPAC name is 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-[1,2-oxazol-4-ylmethyl(2H-pyrrol-4-ylmethyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[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-[1,2-oxazol-4-ylmethyl(2H-pyrrol-4-ylmethyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide
PubChem CID158985184
Molecular FormulaC70H73N15O9
Molecular Weight1268.45 g/mol
Exact Mass1267.57
IUPAC NameN-[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-[1,2-oxazol-4-ylmethyl(2H-pyrrol-4-ylmethyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide
SMILESCc1ncc(CN(CCCNC(=O)c2cc(-c3ccccc3)on2)Cc2cnc(C)o2)o1.O=C(NCCCN(CC1=CCN=C1)Cc1cnoc1)c1cc(-c2ccccc2)on1.O=C(NCCCN(Cc1ccccn1)Cc1ccccn1)c1cc(-c2ccccc2)on1
InChIInChI=1S/C25H25N5O2.C23H25N5O4.C22H23N5O3/c31-25(23-17-24(32-29-23)20-9-2-1-3-10-20)28-15-8-16-30(18-21-11-4-6-13-26-21)19-22-12-5-7-14-27-22;1-16-25-12-19(30-16)14-28(15-20-13-26-17(2)31-20)10-6-9-24-23(29)21-11-22(32-27-21)18-7-4-3-5-8-18;28-22(20-11-21(30-26-20)19-5-2-1-3-6-19)24-8-4-10-27(14-17-7-9-23-12-17)15-18-13-25-29-16-18/h1-7,9-14,17H,8,15-16,18-19H2,(H,28,31);3-5,7-8,11-13H,6,9-10,14-15H2,1-2H3,(H,24,29);1-3,5-7,11-13,16H,4,8-10,14-15H2,(H,24,28)
InChIKeyJPMGUBGIBPXXNQ-UHFFFAOYSA-N
XLogP10.67
TPSA291.34 Ų
H-Bond Donors3
H-Bond Acceptors21
Rotatable Bonds30
Heavy Atoms94
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001268.45
LogP ≤ 510.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 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-[1,2-oxazol-4-ylmethyl(2H-pyrrol-4-ylmethyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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-[1,2-oxazol-4-ylmethyl(2H-pyrrol-4-ylmethyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The IUPAC name of 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-[1,2-oxazol-4-ylmethyl(2H-pyrrol-4-ylmethyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide (CID 158985184) is 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-[1,2-oxazol-4-ylmethyl(2H-pyrrol-4-ylmethyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 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-[1,2-oxazol-4-ylmethyl(2H-pyrrol-4-ylmethyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for 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-[1,2-oxazol-4-ylmethyl(2H-pyrrol-4-ylmethyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide is Cc1ncc(CN(CCCNC(=O)c2cc(-c3ccccc3)on2)Cc2cnc(C)o2)o1.O=C(NCCCN(CC1=CCN=C1)Cc1cnoc1)c1cc(-c2ccccc2)on1.O=C(NCCCN(Cc1ccccn1)Cc1ccccn1)c1cc(-c2ccccc2)on1.
What is the InChIKey of 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-[1,2-oxazol-4-ylmethyl(2H-pyrrol-4-ylmethyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The InChIKey is JPMGUBGIBPXXNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O2.C23H25N5O4.C22H23N5O3/c31-25(23-17-24(32-29-23)20-9-2-1-3-10-20)28-15-8-16-30(18-21-11-4-6-13-26-21)19-22-12-5-7-14-27-22;1-16-25-12-19(30-16)14-28(15-20-13-26-17(2)31-20)10-6-9-24-23(29)21-11-22(32-27-21)18-7-4-3-5-8-18;28-22(20-11-21(30-26-20)19-5-2-1-3-6-19)24-8-4-10-27(14-17-7-9-23-12-17)15-18-13-25-29-16-18/h1-7,9-14,17H,8,15-16,18-19H2,(H,28,31);3-5,7-8,11-13H,6,9-10,14-15H2,1-2H3,(H,24,29);1-3,5-7,11-13,16H,4,8-10,14-15H2,(H,24,28).
What are the key properties of 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-[1,2-oxazol-4-ylmethyl(2H-pyrrol-4-ylmethyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide?
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-[1,2-oxazol-4-ylmethyl(2H-pyrrol-4-ylmethyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide has a molecular weight of 1268.45 g/mol, XLogP of 10.67, 30 rotatable bonds, 3 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 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-[1,2-oxazol-4-ylmethyl(2H-pyrrol-4-ylmethyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 158985184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).