N-(1,3-benzodioxol-5-yl)-5-propan-2-yl-1,2-oxazole-3-carboxamide;3-chloro-4-fluoro-N-[5-(1-hydroxycyclobutyl)-2-pyridinyl]benzamide;3-chloro-4-fluoro-N-[4-(1-hydroxycyclobutyl)-1,3-thiazol-2-yl]benzamide;3-chloro-4-fluoro-N-[5-(1-hydroxycyclobutyl)-1,3-thiazol-2-yl]benzamide;N-[5-(1-hydroxycyclobutyl)-1,3-thiazol-2-yl]-1H-benzimidazole-2-carboxamide;N-[5-(1-hydroxycyclobutyl)-1,3-thiazol-2-yl]-3H-indole-2-carboxamide

C89H81Cl3F3N15O14S4 — CID 158111261

IUPACN-(1,3-benzodioxol-5-yl)-5-propan-2-yl-1,2-oxazole-3-carboxamide;3-chloro-4-fluoro-N-[5-(1-hydroxycyclobutyl)-2-pyridinyl]benzamide;3-chloro-4-fluoro-N-[4-(1-hydroxycyclobutyl)-1,3-thiazol-2-yl]benzamide;3-chloro-4-fluoro-N-[5-(1-hydroxycyclobutyl)-1,3-thiazol-2-yl]benzamide;N-[5-(1-hydroxycyclobutyl)-1,3-thiazol-2-yl]-1H-benzimidazole-2-carboxamide;N-[5-(1-hydroxycyclobutyl)-1,3-thiazol-2-yl]-3H-indole-2-carboxamide
SMILESCC(C)c1cc(C(=O)Nc2ccc3c(c2)OCO3)no1.O=C(Nc1ccc(C2(O)CCC2)cn1)c1ccc(F)c(Cl)c1.O=C(Nc1nc(C2(O)CCC2)cs1)c1ccc(F)c(Cl)c1.O=C(Nc1ncc(C2(O)CCC2)s1)C1=Nc2ccccc2C1.O=C(Nc1ncc(C2(O)CCC2)s1)c1ccc(F)c(Cl)c1.O=C(Nc1ncc(C2(O)CCC2)s1)c1nc2ccccc2[nH]1
InChIInChI=1S/C16H14ClFN2O2.C16H15N3O2S.C15H14N4O2S.2C14H12ClFN2O2S.C14H14N2O4/c17-12-8-10(2-4-13(12)18)15(21)20-14-5-3-11(9-19-14)16(22)6-1-7-16;20-14(12-8-10-4-1-2-5-11(10)18-12)19-15-17-9-13(22-15)16(21)6-3-7-16;20-13(12-17-9-4-1-2-5-10(9)18-12)19-14-16-8-11(22-14)15(21)6-3-7-15;15-9-6-8(2-3-10(9)16)12(19)18-13-17-11(7-21-13)14(20)4-1-5-14;15-9-6-8(2-3-10(9)16)12(19)18-13-17-7-11(21-13)14(20)4-1-5-14;1-8(2)12-6-10(16-20-12)14(17)15-9-3-4-11-13(5-9)19-7-18-11/h2-5,8-9,22H,1,6-7H2,(H,19,20,21);1-2,4-5,9,21H,3,6-8H2,(H,17,19,20);1-2,4-5,8,21H,3,6-7H2,(H,17,18)(H,16,19,20);2*2-3,6-7,20H,1,4-5H2,(H,17,18,19);3-6,8H,7H2,1-2H3,(H,15,17)
InChIKeyFQLPZKNAJPZIRE-UHFFFAOYSA-N
MW1876.34 g/mol
LogP18.82
Rot. Bonds18

About N-(1,3-benzodioxol-5-yl)-5-propan-2-yl-1,2-oxazole-3-carboxamide;3-chloro-4-fluoro-N-[5-(1-hydroxycyclobutyl)-2-pyridinyl]benzamide;3-chloro-4-fluoro-N-[4-(1-hydroxycyclobutyl)-1,3-thiazol-2-yl]benzamide;3-chloro-4-fluoro-N-[5-(1-hydroxycyclobutyl)-1,3-thiazol-2-yl]benzamide;N-[5-(1-hydroxycyclobutyl)-1,3-thiazol-2-yl]-1H-benzimidazole-2-carboxamide;N-[5-(1-hydroxycyclobutyl)-1,3-thiazol-2-yl]-3H-indole-2-carboxamide

N-(1,3-benzodioxol-5-yl)-5-propan-2-yl-1,2-oxazole-3-carboxamide;3-chloro-4-fluoro-N-[5-(1-hydroxycyclobutyl)-2-pyridinyl]benzamide;3-chloro-4-fluoro-N-[4-(1-hydroxycyclobutyl)-1,3-thiazol-2-yl]benzamide;3-chloro-4-fluoro-N-[5-(1-hydroxycyclobutyl)-1,3-thiazol-2-yl]benzamide;N-[5-(1-hydroxycyclobutyl)-1,3-thiazol-2-yl]-1H-benzimidazole-2-carboxamide;N-[5-(1-hydroxycyclobutyl)-1,3-thiazol-2-yl]-3H-indole-2-carboxamide (PubChem CID 158111261) has the molecular formula C89H81Cl3F3N15O14S4 and a molecular weight of 1876.34 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-5-propan-2-yl-1,2-oxazole-3-carboxamide;3-chloro-4-fluoro-N-[5-(1-hydroxycyclobutyl)-2-pyridinyl]benzamide;3-chloro-4-fluoro-N-[4-(1-hydroxycyclobutyl)-1,3-thiazol-2-yl]benzamide;3-chloro-4-fluoro-N-[5-(1-hydroxycyclobutyl)-1,3-thiazol-2-yl]benzamide;N-[5-(1-hydroxycyclobutyl)-1,3-thiazol-2-yl]-1H-benzimidazole-2-carboxamide;N-[5-(1-hydroxycyclobutyl)-1,3-thiazol-2-yl]-3H-indole-2-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-5-propan-2-yl-1,2-oxazole-3-carboxamide;3-chloro-4-fluoro-N-[5-(1-hydroxycyclobutyl)-2-pyridinyl]benzamide;3-chloro-4-fluoro-N-[4-(1-hydroxycyclobutyl)-1,3-thiazol-2-yl]benzamide;3-chloro-4-fluoro-N-[5-(1-hydroxycyclobutyl)-1,3-thiazol-2-yl]benzamide;N-[5-(1-hydroxycyclobutyl)-1,3-thiazol-2-yl]-1H-benzimidazole-2-carboxamide;N-[5-(1-hydroxycyclobutyl)-1,3-thiazol-2-yl]-3H-indole-2-carboxamide
PubChem CID158111261
Molecular FormulaC89H81Cl3F3N15O14S4
Molecular Weight1876.34 g/mol
Exact Mass1873.40
IUPAC NameN-(1,3-benzodioxol-5-yl)-5-propan-2-yl-1,2-oxazole-3-carboxamide;3-chloro-4-fluoro-N-[5-(1-hydroxycyclobutyl)-2-pyridinyl]benzamide;3-chloro-4-fluoro-N-[4-(1-hydroxycyclobutyl)-1,3-thiazol-2-yl]benzamide;3-chloro-4-fluoro-N-[5-(1-hydroxycyclobutyl)-1,3-thiazol-2-yl]benzamide;N-[5-(1-hydroxycyclobutyl)-1,3-thiazol-2-yl]-1H-benzimidazole-2-carboxamide;N-[5-(1-hydroxycyclobutyl)-1,3-thiazol-2-yl]-3H-indole-2-carboxamide
SMILESCC(C)c1cc(C(=O)Nc2ccc3c(c2)OCO3)no1.O=C(Nc1ccc(C2(O)CCC2)cn1)c1ccc(F)c(Cl)c1.O=C(Nc1nc(C2(O)CCC2)cs1)c1ccc(F)c(Cl)c1.O=C(Nc1ncc(C2(O)CCC2)s1)C1=Nc2ccccc2C1.O=C(Nc1ncc(C2(O)CCC2)s1)c1ccc(F)c(Cl)c1.O=C(Nc1ncc(C2(O)CCC2)s1)c1nc2ccccc2[nH]1
InChIInChI=1S/C16H14ClFN2O2.C16H15N3O2S.C15H14N4O2S.2C14H12ClFN2O2S.C14H14N2O4/c17-12-8-10(2-4-13(12)18)15(21)20-14-5-3-11(9-19-14)16(22)6-1-7-16;20-14(12-8-10-4-1-2-5-11(10)18-12)19-15-17-9-13(22-15)16(21)6-3-7-16;20-13(12-17-9-4-1-2-5-10(9)18-12)19-14-16-8-11(22-14)15(21)6-3-7-15;15-9-6-8(2-3-10(9)16)12(19)18-13-17-11(7-21-13)14(20)4-1-5-14;15-9-6-8(2-3-10(9)16)12(19)18-13-17-7-11(21-13)14(20)4-1-5-14;1-8(2)12-6-10(16-20-12)14(17)15-9-3-4-11-13(5-9)19-7-18-11/h2-5,8-9,22H,1,6-7H2,(H,19,20,21);1-2,4-5,9,21H,3,6-8H2,(H,17,19,20);1-2,4-5,8,21H,3,6-7H2,(H,17,18)(H,16,19,20);2*2-3,6-7,20H,1,4-5H2,(H,17,18,19);3-6,8H,7H2,1-2H3,(H,15,17)
InChIKeyFQLPZKNAJPZIRE-UHFFFAOYSA-N
XLogP18.82
TPSA425.73 Ų
H-Bond Donors12
H-Bond Acceptors26
Rotatable Bonds18
Heavy Atoms128
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001876.34
LogP ≤ 518.82
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1026

Analyze N-(1,3-benzodioxol-5-yl)-5-propan-2-yl-1,2-oxazole-3-carboxamide;3-chloro-4-fluoro-N-[5-(1-hydroxycyclobutyl)-2-pyridinyl]benzamide;3-chloro-4-fluoro-N-[4-(1-hydroxycyclobutyl)-1,3-thiazol-2-yl]benzamide;3-chloro-4-fluoro-N-[5-(1-hydroxycyclobutyl)-1,3-thiazol-2-yl]benzamide;N-[5-(1-hydroxycyclobutyl)-1,3-thiazol-2-yl]-1H-benzimidazole-2-carboxamide;N-[5-(1-hydroxycyclobutyl)-1,3-thiazol-2-yl]-3H-indole-2-carboxamide with MolForge

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Related Compounds

4-amino-N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-3-methoxybenzamide;2-(3-chlorophenyl)-N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)acetamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-5-(thiophene-3-carbonylamino)-1,2,4-thiadiazole-3-carboxamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-5-(dimethylamino)pyridine-3-carboxamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-2-(furan-2-yl)-1,3-thiazole-4-carboxamide
CID 157427512
4-amino-N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-3-methoxybenzamide;2-(3-chlorophenyl)-N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)acetamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-5-(thiophene-3-carbonylamino)-1,2,4-thiadiazole-3-carboxamide;5-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-N,N-dimethylpyridin-3-amine;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-2-(furan-2-yl)-1,3-thiazole-4-carboxamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 157624425

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-5-propan-2-yl-1,2-oxazole-3-carboxamide;3-chloro-4-fluoro-N-[5-(1-hydroxycyclobutyl)-2-pyridinyl]benzamide;3-chloro-4-fluoro-N-[4-(1-hydroxycyclobutyl)-1,3-thiazol-2-yl]benzamide;3-chloro-4-fluoro-N-[5-(1-hydroxycyclobutyl)-1,3-thiazol-2-yl]benzamide;N-[5-(1-hydroxycyclobutyl)-1,3-thiazol-2-yl]-1H-benzimidazole-2-carboxamide;N-[5-(1-hydroxycyclobutyl)-1,3-thiazol-2-yl]-3H-indole-2-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-5-propan-2-yl-1,2-oxazole-3-carboxamide;3-chloro-4-fluoro-N-[5-(1-hydroxycyclobutyl)-2-pyridinyl]benzamide;3-chloro-4-fluoro-N-[4-(1-hydroxycyclobutyl)-1,3-thiazol-2-yl]benzamide;3-chloro-4-fluoro-N-[5-(1-hydroxycyclobutyl)-1,3-thiazol-2-yl]benzamide;N-[5-(1-hydroxycyclobutyl)-1,3-thiazol-2-yl]-1H-benzimidazole-2-carboxamide;N-[5-(1-hydroxycyclobutyl)-1,3-thiazol-2-yl]-3H-indole-2-carboxamide (CID 158111261) is N-(1,3-benzodioxol-5-yl)-5-propan-2-yl-1,2-oxazole-3-carboxamide;3-chloro-4-fluoro-N-[5-(1-hydroxycyclobutyl)-2-pyridinyl]benzamide;3-chloro-4-fluoro-N-[4-(1-hydroxycyclobutyl)-1,3-thiazol-2-yl]benzamide;3-chloro-4-fluoro-N-[5-(1-hydroxycyclobutyl)-1,3-thiazol-2-yl]benzamide;N-[5-(1-hydroxycyclobutyl)-1,3-thiazol-2-yl]-1H-benzimidazole-2-carboxamide;N-[5-(1-hydroxycyclobutyl)-1,3-thiazol-2-yl]-3H-indole-2-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-5-propan-2-yl-1,2-oxazole-3-carboxamide;3-chloro-4-fluoro-N-[5-(1-hydroxycyclobutyl)-2-pyridinyl]benzamide;3-chloro-4-fluoro-N-[4-(1-hydroxycyclobutyl)-1,3-thiazol-2-yl]benzamide;3-chloro-4-fluoro-N-[5-(1-hydroxycyclobutyl)-1,3-thiazol-2-yl]benzamide;N-[5-(1-hydroxycyclobutyl)-1,3-thiazol-2-yl]-1H-benzimidazole-2-carboxamide;N-[5-(1-hydroxycyclobutyl)-1,3-thiazol-2-yl]-3H-indole-2-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-5-propan-2-yl-1,2-oxazole-3-carboxamide;3-chloro-4-fluoro-N-[5-(1-hydroxycyclobutyl)-2-pyridinyl]benzamide;3-chloro-4-fluoro-N-[4-(1-hydroxycyclobutyl)-1,3-thiazol-2-yl]benzamide;3-chloro-4-fluoro-N-[5-(1-hydroxycyclobutyl)-1,3-thiazol-2-yl]benzamide;N-[5-(1-hydroxycyclobutyl)-1,3-thiazol-2-yl]-1H-benzimidazole-2-carboxamide;N-[5-(1-hydroxycyclobutyl)-1,3-thiazol-2-yl]-3H-indole-2-carboxamide is CC(C)c1cc(C(=O)Nc2ccc3c(c2)OCO3)no1.O=C(Nc1ccc(C2(O)CCC2)cn1)c1ccc(F)c(Cl)c1.O=C(Nc1nc(C2(O)CCC2)cs1)c1ccc(F)c(Cl)c1.O=C(Nc1ncc(C2(O)CCC2)s1)C1=Nc2ccccc2C1.O=C(Nc1ncc(C2(O)CCC2)s1)c1ccc(F)c(Cl)c1.O=C(Nc1ncc(C2(O)CCC2)s1)c1nc2ccccc2[nH]1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-5-propan-2-yl-1,2-oxazole-3-carboxamide;3-chloro-4-fluoro-N-[5-(1-hydroxycyclobutyl)-2-pyridinyl]benzamide;3-chloro-4-fluoro-N-[4-(1-hydroxycyclobutyl)-1,3-thiazol-2-yl]benzamide;3-chloro-4-fluoro-N-[5-(1-hydroxycyclobutyl)-1,3-thiazol-2-yl]benzamide;N-[5-(1-hydroxycyclobutyl)-1,3-thiazol-2-yl]-1H-benzimidazole-2-carboxamide;N-[5-(1-hydroxycyclobutyl)-1,3-thiazol-2-yl]-3H-indole-2-carboxamide?
The InChIKey is FQLPZKNAJPZIRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClFN2O2.C16H15N3O2S.C15H14N4O2S.2C14H12ClFN2O2S.C14H14N2O4/c17-12-8-10(2-4-13(12)18)15(21)20-14-5-3-11(9-19-14)16(22)6-1-7-16;20-14(12-8-10-4-1-2-5-11(10)18-12)19-15-17-9-13(22-15)16(21)6-3-7-16;20-13(12-17-9-4-1-2-5-10(9)18-12)19-14-16-8-11(22-14)15(21)6-3-7-15;15-9-6-8(2-3-10(9)16)12(19)18-13-17-11(7-21-13)14(20)4-1-5-14;15-9-6-8(2-3-10(9)16)12(19)18-13-17-7-11(21-13)14(20)4-1-5-14;1-8(2)12-6-10(16-20-12)14(17)15-9-3-4-11-13(5-9)19-7-18-11/h2-5,8-9,22H,1,6-7H2,(H,19,20,21);1-2,4-5,9,21H,3,6-8H2,(H,17,19,20);1-2,4-5,8,21H,3,6-7H2,(H,17,18)(H,16,19,20);2*2-3,6-7,20H,1,4-5H2,(H,17,18,19);3-6,8H,7H2,1-2H3,(H,15,17).
What are the key properties of N-(1,3-benzodioxol-5-yl)-5-propan-2-yl-1,2-oxazole-3-carboxamide;3-chloro-4-fluoro-N-[5-(1-hydroxycyclobutyl)-2-pyridinyl]benzamide;3-chloro-4-fluoro-N-[4-(1-hydroxycyclobutyl)-1,3-thiazol-2-yl]benzamide;3-chloro-4-fluoro-N-[5-(1-hydroxycyclobutyl)-1,3-thiazol-2-yl]benzamide;N-[5-(1-hydroxycyclobutyl)-1,3-thiazol-2-yl]-1H-benzimidazole-2-carboxamide;N-[5-(1-hydroxycyclobutyl)-1,3-thiazol-2-yl]-3H-indole-2-carboxamide?
N-(1,3-benzodioxol-5-yl)-5-propan-2-yl-1,2-oxazole-3-carboxamide;3-chloro-4-fluoro-N-[5-(1-hydroxycyclobutyl)-2-pyridinyl]benzamide;3-chloro-4-fluoro-N-[4-(1-hydroxycyclobutyl)-1,3-thiazol-2-yl]benzamide;3-chloro-4-fluoro-N-[5-(1-hydroxycyclobutyl)-1,3-thiazol-2-yl]benzamide;N-[5-(1-hydroxycyclobutyl)-1,3-thiazol-2-yl]-1H-benzimidazole-2-carboxamide;N-[5-(1-hydroxycyclobutyl)-1,3-thiazol-2-yl]-3H-indole-2-carboxamide has a molecular weight of 1876.34 g/mol, XLogP of 18.82, 18 rotatable bonds, 12 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-5-propan-2-yl-1,2-oxazole-3-carboxamide;3-chloro-4-fluoro-N-[5-(1-hydroxycyclobutyl)-2-pyridinyl]benzamide;3-chloro-4-fluoro-N-[4-(1-hydroxycyclobutyl)-1,3-thiazol-2-yl]benzamide;3-chloro-4-fluoro-N-[5-(1-hydroxycyclobutyl)-1,3-thiazol-2-yl]benzamide;N-[5-(1-hydroxycyclobutyl)-1,3-thiazol-2-yl]-1H-benzimidazole-2-carboxamide;N-[5-(1-hydroxycyclobutyl)-1,3-thiazol-2-yl]-3H-indole-2-carboxamide is sourced from PubChem (CID 158111261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).