N-(5-chloro-2-methoxyphenyl)-2-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide

C16H13ClN2O4 — CID 110774032

IUPACN-(5-chloro-2-methoxyphenyl)-2-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide
SMILESCOc1ccc(Cl)cc1NC(=O)Cc1ccc2oc(=O)[nH]c2c1
InChIInChI=1S/C16H13ClN2O4/c1-22-13-5-3-10(17)8-12(13)18-15(20)7-9-2-4-14-11(6-9)19-16(21)23-14/h2-6,8H,7H2,1H3,(H,18,20)(H,19,21)
InChIKeyLFBRERZDZBCRLX-UHFFFAOYSA-N
MW332.74 g/mol
LogP2.96
Rot. Bonds4

About N-(5-chloro-2-methoxyphenyl)-2-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide

N-(5-chloro-2-methoxyphenyl)-2-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide (PubChem CID 110774032) has the molecular formula C16H13ClN2O4 and a molecular weight of 332.74 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-2-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-2-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide
PubChem CID110774032
Molecular FormulaC16H13ClN2O4
Molecular Weight332.74 g/mol
Exact Mass332.06
IUPAC NameN-(5-chloro-2-methoxyphenyl)-2-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide
SMILESCOc1ccc(Cl)cc1NC(=O)Cc1ccc2oc(=O)[nH]c2c1
InChIInChI=1S/C16H13ClN2O4/c1-22-13-5-3-10(17)8-12(13)18-15(20)7-9-2-4-14-11(6-9)19-16(21)23-14/h2-6,8H,7H2,1H3,(H,18,20)(H,19,21)
InChIKeyLFBRERZDZBCRLX-UHFFFAOYSA-N
XLogP2.96
TPSA84.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.74
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-2-(2-methyl-1,3-benzoxazol-5-yl)acetamide
CID 110773873
2-chloro-N-(5-chloro-2-methoxyphenyl)acetamide
CID 776663
N-(5-chloro-2-methoxyphenyl)-2-[(4-chlorophenyl)methylamino]acetamide
CID 108998151
N-(5-chloro-2-methoxyphenyl)-2-(2-chlorophenyl)acetamide
CID 2666806
N-(5-chloro-2-methoxyphenyl)-2-(2,3,4-trimethoxyphenyl)acetamide
CID 17462179
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-(4-chlorophenyl)acetate
CID 7750443
3-(4-aminophenyl)-N-(5-chloro-2-methoxyphenyl)propanamide
CID 28713135
N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-2-phenylacetamide
CID 9413480
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-(4-hydroxyphenyl)acetate
CID 8671876
N-(5-chloro-2-methoxyphenyl)-3-(2-oxo-1H-quinolin-3-yl)propanamide
CID 110356008
N-(5-chloro-2-methoxyphenyl)-3-methoxy-3-methylbutanamide
CID 129040736
N'-(5-chloro-2-methoxyphenyl)butanediamide
CID 94271903

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide (CID 110774032) is N-(5-chloro-2-methoxyphenyl)-2-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-2-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-2-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide is COc1ccc(Cl)cc1NC(=O)Cc1ccc2oc(=O)[nH]c2c1.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-2-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide?
The InChIKey is LFBRERZDZBCRLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O4/c1-22-13-5-3-10(17)8-12(13)18-15(20)7-9-2-4-14-11(6-9)19-16(21)23-14/h2-6,8H,7H2,1H3,(H,18,20)(H,19,21).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-2-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide?
N-(5-chloro-2-methoxyphenyl)-2-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide has a molecular weight of 332.74 g/mol, XLogP of 2.96, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-2-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide is sourced from PubChem (CID 110774032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).