5-chloro-N-[(3-methoxyphenyl)methyl]-2-oxo-1,3-benzoxazole-3-carboxamide

C16H13ClN2O4 — CID 141483091

IUPAC5-chloro-N-[(3-methoxyphenyl)methyl]-2-oxo-1,3-benzoxazole-3-carboxamide
SMILESCOc1cccc(CNC(=O)n2c(=O)oc3ccc(Cl)cc32)c1
InChIInChI=1S/C16H13ClN2O4/c1-22-12-4-2-3-10(7-12)9-18-15(20)19-13-8-11(17)5-6-14(13)23-16(19)21/h2-8H,9H2,1H3,(H,18,20)
InChIKeyRRYPFZBWRGCZKY-UHFFFAOYSA-N
MW332.74 g/mol
LogP3.01
Rot. Bonds3

About 5-chloro-N-[(3-methoxyphenyl)methyl]-2-oxo-1,3-benzoxazole-3-carboxamide

5-chloro-N-[(3-methoxyphenyl)methyl]-2-oxo-1,3-benzoxazole-3-carboxamide (PubChem CID 141483091) has the molecular formula C16H13ClN2O4 and a molecular weight of 332.74 g/mol. Its IUPAC name is 5-chloro-N-[(3-methoxyphenyl)methyl]-2-oxo-1,3-benzoxazole-3-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[(3-methoxyphenyl)methyl]-2-oxo-1,3-benzoxazole-3-carboxamide
PubChem CID141483091
Molecular FormulaC16H13ClN2O4
Molecular Weight332.74 g/mol
Exact Mass332.06
IUPAC Name5-chloro-N-[(3-methoxyphenyl)methyl]-2-oxo-1,3-benzoxazole-3-carboxamide
SMILESCOc1cccc(CNC(=O)n2c(=O)oc3ccc(Cl)cc32)c1
InChIInChI=1S/C16H13ClN2O4/c1-22-12-4-2-3-10(7-12)9-18-15(20)19-13-8-11(17)5-6-14(13)23-16(19)21/h2-8H,9H2,1H3,(H,18,20)
InChIKeyRRYPFZBWRGCZKY-UHFFFAOYSA-N
XLogP3.01
TPSA73.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.74
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chlorophenyl)sulfanyl-N-[(3-methoxyphenyl)methyl]acetamide
CID 18074647
5-chloro-2-fluoro-N-[(3-methoxyphenyl)methyl]benzamide
CID 9088202
2-(2,4-dichlorophenyl)-N-[(3-methoxyphenyl)methyl]acetamide
CID 9495803
5-acetyl-3-[(3-methoxyphenyl)methyl]-1,3-benzoxazol-2-one
CID 123238887
N-[(3-methoxyphenyl)methyl]-3-[(5-methyl-2-oxo-1,3-benzoxazol-3-yl)methyl]-1,2,4-oxadiazole-5-carboxamide
CID 53130514
4-benzyl-N-[(3-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 27517759
2-(3-methoxyphenyl)-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)acetamide
CID 110662027
1-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)-3-[(3-methoxyphenyl)methyl]urea
CID 50796782
2-chloro-N-[(3-methoxyphenyl)methyl]acetamide
CID 4839545
1-(2-aminoethyl)-3-[(3-methoxyphenyl)methyl]urea
CID 117235446
(E)-3-(4-chlorophenyl)-N-[(3-methoxyphenyl)methyl]prop-2-enamide
CID 7921016
3-[(3-hydroxyphenyl)methyl]-5-methoxy-1,3-benzoxazol-2-one
CID 46946073

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(3-methoxyphenyl)methyl]-2-oxo-1,3-benzoxazole-3-carboxamide?
The IUPAC name of 5-chloro-N-[(3-methoxyphenyl)methyl]-2-oxo-1,3-benzoxazole-3-carboxamide (CID 141483091) is 5-chloro-N-[(3-methoxyphenyl)methyl]-2-oxo-1,3-benzoxazole-3-carboxamide.
What is the SMILES notation for 5-chloro-N-[(3-methoxyphenyl)methyl]-2-oxo-1,3-benzoxazole-3-carboxamide?
The canonical SMILES for 5-chloro-N-[(3-methoxyphenyl)methyl]-2-oxo-1,3-benzoxazole-3-carboxamide is COc1cccc(CNC(=O)n2c(=O)oc3ccc(Cl)cc32)c1.
What is the InChIKey of 5-chloro-N-[(3-methoxyphenyl)methyl]-2-oxo-1,3-benzoxazole-3-carboxamide?
The InChIKey is RRYPFZBWRGCZKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O4/c1-22-12-4-2-3-10(7-12)9-18-15(20)19-13-8-11(17)5-6-14(13)23-16(19)21/h2-8H,9H2,1H3,(H,18,20).
What are the key properties of 5-chloro-N-[(3-methoxyphenyl)methyl]-2-oxo-1,3-benzoxazole-3-carboxamide?
5-chloro-N-[(3-methoxyphenyl)methyl]-2-oxo-1,3-benzoxazole-3-carboxamide has a molecular weight of 332.74 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(3-methoxyphenyl)methyl]-2-oxo-1,3-benzoxazole-3-carboxamide is sourced from PubChem (CID 141483091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).