2-(1,3-benzoxazol-6-yl)-N-(4-chloro-2,5-dimethoxyphenyl)acetamide

C17H15ClN2O4 — CID 110771892

IUPAC2-(1,3-benzoxazol-6-yl)-N-(4-chloro-2,5-dimethoxyphenyl)acetamide
SMILESCOc1cc(NC(=O)Cc2ccc3ncoc3c2)c(OC)cc1Cl
InChIInChI=1S/C17H15ClN2O4/c1-22-14-8-13(15(23-2)7-11(14)18)20-17(21)6-10-3-4-12-16(5-10)24-9-19-12/h3-5,7-9H,6H2,1-2H3,(H,20,21)
InChIKeyALKCWKGGSBGVFY-UHFFFAOYSA-N
MW346.77 g/mol
LogP3.68
Rot. Bonds5

About 2-(1,3-benzoxazol-6-yl)-N-(4-chloro-2,5-dimethoxyphenyl)acetamide

2-(1,3-benzoxazol-6-yl)-N-(4-chloro-2,5-dimethoxyphenyl)acetamide (PubChem CID 110771892) has the molecular formula C17H15ClN2O4 and a molecular weight of 346.77 g/mol. Its IUPAC name is 2-(1,3-benzoxazol-6-yl)-N-(4-chloro-2,5-dimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(1,3-benzoxazol-6-yl)-N-(4-chloro-2,5-dimethoxyphenyl)acetamide
PubChem CID110771892
Molecular FormulaC17H15ClN2O4
Molecular Weight346.77 g/mol
Exact Mass346.07
IUPAC Name2-(1,3-benzoxazol-6-yl)-N-(4-chloro-2,5-dimethoxyphenyl)acetamide
SMILESCOc1cc(NC(=O)Cc2ccc3ncoc3c2)c(OC)cc1Cl
InChIInChI=1S/C17H15ClN2O4/c1-22-14-8-13(15(23-2)7-11(14)18)20-17(21)6-10-3-4-12-16(5-10)24-9-19-12/h3-5,7-9H,6H2,1-2H3,(H,20,21)
InChIKeyALKCWKGGSBGVFY-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-(1,3-benzoxazol-6-yl)-N-(2,4-dimethoxyphenyl)acetamide
CID 110771854
N-(4-chloro-2,5-dimethoxyphenyl)-1,3-benzoxazole-6-carboxamide
CID 110765168
N-(4-chloro-2,5-dimethoxyphenyl)-2-(3,4-dimethylphenyl)acetamide
CID 8501521
N-[2-(1,3-benzoxazol-6-yl)ethyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 110796038
methyl 4-[[2-(1,3-benzoxazol-6-yl)acetyl]amino]benzoate
CID 110771867
[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl] 1,3-benzoxazole-5-carboxylate
CID 23802598
N-(4-chloro-2,5-dimethoxyphenyl)-2-(4-morpholin-4-ylphenyl)acetamide
CID 110427902
N-[2-(4-chloro-2,5-dimethoxyanilino)-2-oxoethyl]-2-(4-chlorophenyl)acetamide
CID 113001558
2-(1,3-benzoxazol-6-yl)-N-[4-(dimethylamino)phenyl]acetamide
CID 110771869
N-(4-chloro-2,5-dimethoxyphenyl)-2-(2H-tetrazol-5-yl)acetamide
CID 110499410
N-(4-chloro-2,5-dimethoxyphenyl)-2-(4-pyrrolidin-1-ylphenyl)acetamide
CID 110651208
2-(1,2-benzoxazol-3-yl)-N-(4-chloro-2,5-dimethoxyphenyl)acetamide
CID 9162813

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzoxazol-6-yl)-N-(4-chloro-2,5-dimethoxyphenyl)acetamide?
The IUPAC name of 2-(1,3-benzoxazol-6-yl)-N-(4-chloro-2,5-dimethoxyphenyl)acetamide (CID 110771892) is 2-(1,3-benzoxazol-6-yl)-N-(4-chloro-2,5-dimethoxyphenyl)acetamide.
What is the SMILES notation for 2-(1,3-benzoxazol-6-yl)-N-(4-chloro-2,5-dimethoxyphenyl)acetamide?
The canonical SMILES for 2-(1,3-benzoxazol-6-yl)-N-(4-chloro-2,5-dimethoxyphenyl)acetamide is COc1cc(NC(=O)Cc2ccc3ncoc3c2)c(OC)cc1Cl.
What is the InChIKey of 2-(1,3-benzoxazol-6-yl)-N-(4-chloro-2,5-dimethoxyphenyl)acetamide?
The InChIKey is ALKCWKGGSBGVFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O4/c1-22-14-8-13(15(23-2)7-11(14)18)20-17(21)6-10-3-4-12-16(5-10)24-9-19-12/h3-5,7-9H,6H2,1-2H3,(H,20,21).
What are the key properties of 2-(1,3-benzoxazol-6-yl)-N-(4-chloro-2,5-dimethoxyphenyl)acetamide?
2-(1,3-benzoxazol-6-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-(1,3-benzoxazol-6-yl)-N-(4-chloro-2,5-dimethoxyphenyl)acetamide is sourced from PubChem (CID 110771892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).