2-(1,2-benzoxazol-3-yl)-N-(4-chloro-2,5-dimethoxyphenyl)acetamide

C17H15ClN2O4 — CID 9162813

IUPAC2-(1,2-benzoxazol-3-yl)-N-(4-chloro-2,5-dimethoxyphenyl)acetamide
SMILESCOc1cc(NC(=O)Cc2noc3ccccc23)c(OC)cc1Cl
InChIInChI=1S/C17H15ClN2O4/c1-22-15-8-13(16(23-2)7-11(15)18)19-17(21)9-12-10-5-3-4-6-14(10)24-20-12/h3-8H,9H2,1-2H3,(H,19,21)
InChIKeyVGRFIWDHBZSVRN-UHFFFAOYSA-N
MW346.77 g/mol
LogP3.68
Rot. Bonds5

About 2-(1,2-benzoxazol-3-yl)-N-(4-chloro-2,5-dimethoxyphenyl)acetamide

2-(1,2-benzoxazol-3-yl)-N-(4-chloro-2,5-dimethoxyphenyl)acetamide (PubChem CID 9162813) has the molecular formula C17H15ClN2O4 and a molecular weight of 346.77 g/mol. Its IUPAC name is 2-(1,2-benzoxazol-3-yl)-N-(4-chloro-2,5-dimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(1,2-benzoxazol-3-yl)-N-(4-chloro-2,5-dimethoxyphenyl)acetamide
PubChem CID9162813
Molecular FormulaC17H15ClN2O4
Molecular Weight346.77 g/mol
Exact Mass346.07
IUPAC Name2-(1,2-benzoxazol-3-yl)-N-(4-chloro-2,5-dimethoxyphenyl)acetamide
SMILESCOc1cc(NC(=O)Cc2noc3ccccc23)c(OC)cc1Cl
InChIInChI=1S/C17H15ClN2O4/c1-22-15-8-13(16(23-2)7-11(15)18)19-17(21)9-12-10-5-3-4-6-14(10)24-20-12/h3-8H,9H2,1-2H3,(H,19,21)
InChIKeyVGRFIWDHBZSVRN-UHFFFAOYSA-N
XLogP3.68
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.77
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1,2-benzoxazol-3-yl)-N-(2-methoxyphenyl)acetamide
CID 1235350
2-(1,2-benzoxazol-3-yl)-N-(2,4,5-trichlorophenyl)acetamide
CID 35532893
N-(3-acetamido-4-methoxyphenyl)-2-(1,2-benzoxazol-3-yl)acetamide
CID 33310841
N-[4-[[2-(1,2-benzoxazol-3-yl)acetyl]amino]-2-methoxyphenyl]-3-methylbutanamide
CID 50958245
N-(4-amino-2-chlorophenyl)-2-(1,2-benzoxazol-3-yl)acetamide
CID 29042375
2-(1,2-benzoxazol-3-yl)-N-(2-butoxy-5-methoxyphenyl)acetamide
CID 46441550
2-(1,2-benzoxazol-3-yl)-N-(3,5-dimethoxyphenyl)acetamide
CID 9255690
[2-(3-chloro-4-methoxyanilino)-2-oxoethyl] 2-(1,2-benzoxazol-3-yl)acetate
CID 8982732
2-(1,2-benzoxazol-3-yl)-N-(2,5-diethoxyphenyl)acetamide
CID 35540282
N-(2-methoxy-5-methylphenyl)-2-(5-methyl-1,2-benzoxazol-3-yl)acetamide
CID 22519804
[2-(2-methoxyanilino)-2-oxoethyl] 2-(1,2-benzoxazol-3-yl)acetate
CID 8982841
2-(1,2-benzoxazol-3-yl)-N-(2-chloro-3-pyridinyl)acetamide
CID 1235388

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-benzoxazol-3-yl)-N-(4-chloro-2,5-dimethoxyphenyl)acetamide?
The IUPAC name of 2-(1,2-benzoxazol-3-yl)-N-(4-chloro-2,5-dimethoxyphenyl)acetamide (CID 9162813) is 2-(1,2-benzoxazol-3-yl)-N-(4-chloro-2,5-dimethoxyphenyl)acetamide.
What is the SMILES notation for 2-(1,2-benzoxazol-3-yl)-N-(4-chloro-2,5-dimethoxyphenyl)acetamide?
The canonical SMILES for 2-(1,2-benzoxazol-3-yl)-N-(4-chloro-2,5-dimethoxyphenyl)acetamide is COc1cc(NC(=O)Cc2noc3ccccc23)c(OC)cc1Cl.
What is the InChIKey of 2-(1,2-benzoxazol-3-yl)-N-(4-chloro-2,5-dimethoxyphenyl)acetamide?
The InChIKey is VGRFIWDHBZSVRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O4/c1-22-15-8-13(16(23-2)7-11(15)18)19-17(21)9-12-10-5-3-4-6-14(10)24-20-12/h3-8H,9H2,1-2H3,(H,19,21).
What are the key properties of 2-(1,2-benzoxazol-3-yl)-N-(4-chloro-2,5-dimethoxyphenyl)acetamide?
2-(1,2-benzoxazol-3-yl)-N-(4-chloro-2,5-dimethoxyphenyl)acetamide has a molecular weight of 346.77 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-benzoxazol-3-yl)-N-(4-chloro-2,5-dimethoxyphenyl)acetamide is sourced from PubChem (CID 9162813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).