2-(4-chlorophenyl)-N-[3-hydroxy-4-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]acetamide

C20H14ClN3O3 — CID 135655820

IUPAC2-(4-chlorophenyl)-N-[3-hydroxy-4-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]acetamide
SMILESO=C(Cc1ccc(Cl)cc1)Nc1ccc(-c2nc3cnccc3o2)c(O)c1
InChIInChI=1S/C20H14ClN3O3/c21-13-3-1-12(2-4-13)9-19(26)23-14-5-6-15(17(25)10-14)20-24-16-11-22-8-7-18(16)27-20/h1-8,10-11,25H,9H2,(H,23,26)
InChIKeyVKAKMCDOXURYSL-UHFFFAOYSA-N
MW379.80 g/mol
LogP4.43
Rot. Bonds4

About 2-(4-chlorophenyl)-N-[3-hydroxy-4-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]acetamide

2-(4-chlorophenyl)-N-[3-hydroxy-4-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]acetamide (PubChem CID 135655820) has the molecular formula C20H14ClN3O3 and a molecular weight of 379.80 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[3-hydroxy-4-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[3-hydroxy-4-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]acetamide
PubChem CID135655820
Molecular FormulaC20H14ClN3O3
Molecular Weight379.80 g/mol
Exact Mass379.07
IUPAC Name2-(4-chlorophenyl)-N-[3-hydroxy-4-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]acetamide
SMILESO=C(Cc1ccc(Cl)cc1)Nc1ccc(-c2nc3cnccc3o2)c(O)c1
InChIInChI=1S/C20H14ClN3O3/c21-13-3-1-12(2-4-13)9-19(26)23-14-5-6-15(17(25)10-14)20-24-16-11-22-8-7-18(16)27-20/h1-8,10-11,25H,9H2,(H,23,26)
InChIKeyVKAKMCDOXURYSL-UHFFFAOYSA-N
XLogP4.43
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.80
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-hydroxy-4-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]acetamide
CID 135658749
2-(4-chlorophenoxy)-N-[4-hydroxy-3-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]acetamide
CID 135654510
2,2,2-trifluoro-N-[3-hydroxy-4-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]acetamide
CID 135658569
2-(4-chlorophenyl)-N-[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]acetamide
CID 1348156
N-[3-hydroxy-4-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]-1-benzofuran-2-carboxamide
CID 135654760
5-bromo-N-[4-hydroxy-3-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]furan-2-carboxamide
CID 135655007
2-(2,5-dichlorophenyl)-[1,3]oxazolo[4,5-c]pyridine
CID 91677485
2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-[2-[4-[[2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]-2-hydroxyphenyl]-1,3-benzoxazol-5-yl]acetamide
CID 135795927
2-(4-chlorophenyl)-N-[[4-(5,7-dimethyl-1,3-benzoxazol-2-yl)-3-hydroxyphenyl]carbamothioyl]acetamide
CID 135717999
N-[2-(4-chlorophenyl)-1,3-benzoxazol-6-yl]-2-(4-methoxyphenyl)acetamide
CID 7326619
2-(4-chlorophenyl)-N-[2-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-5-yl]acetamide
CID 17163347
N-[4-(1,3-benzoxazol-2-yl)-3-hydroxyphenyl]pyridine-3-carboxamide
CID 4088215

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[3-hydroxy-4-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[3-hydroxy-4-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]acetamide (CID 135655820) is 2-(4-chlorophenyl)-N-[3-hydroxy-4-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[3-hydroxy-4-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[3-hydroxy-4-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]acetamide is O=C(Cc1ccc(Cl)cc1)Nc1ccc(-c2nc3cnccc3o2)c(O)c1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[3-hydroxy-4-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]acetamide?
The InChIKey is VKAKMCDOXURYSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClN3O3/c21-13-3-1-12(2-4-13)9-19(26)23-14-5-6-15(17(25)10-14)20-24-16-11-22-8-7-18(16)27-20/h1-8,10-11,25H,9H2,(H,23,26).
What are the key properties of 2-(4-chlorophenyl)-N-[3-hydroxy-4-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]acetamide?
2-(4-chlorophenyl)-N-[3-hydroxy-4-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]acetamide has a molecular weight of 379.80 g/mol, XLogP of 4.43, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[3-hydroxy-4-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]acetamide is sourced from PubChem (CID 135655820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).