4-[[2-(1,2-benzoxazol-3-yl)acetyl]amino]-N-(2-methoxyphenyl)benzamide

C23H19N3O4 — CID 9270620

IUPAC4-[[2-(1,2-benzoxazol-3-yl)acetyl]amino]-N-(2-methoxyphenyl)benzamide
SMILESCOc1ccccc1NC(=O)c1ccc(NC(=O)Cc2noc3ccccc23)cc1
InChIInChI=1S/C23H19N3O4/c1-29-21-9-5-3-7-18(21)25-23(28)15-10-12-16(13-11-15)24-22(27)14-19-17-6-2-4-8-20(17)30-26-19/h2-13H,14H2,1H3,(H,24,27)(H,25,28)
InChIKeyGXBOWPQXPHWQAJ-UHFFFAOYSA-N
MW401.42 g/mol
LogP4.27
Rot. Bonds6

About 4-[[2-(1,2-benzoxazol-3-yl)acetyl]amino]-N-(2-methoxyphenyl)benzamide

4-[[2-(1,2-benzoxazol-3-yl)acetyl]amino]-N-(2-methoxyphenyl)benzamide (PubChem CID 9270620) has the molecular formula C23H19N3O4 and a molecular weight of 401.42 g/mol. Its IUPAC name is 4-[[2-(1,2-benzoxazol-3-yl)acetyl]amino]-N-(2-methoxyphenyl)benzamide.

Molecular Properties

Compound Name4-[[2-(1,2-benzoxazol-3-yl)acetyl]amino]-N-(2-methoxyphenyl)benzamide
PubChem CID9270620
Molecular FormulaC23H19N3O4
Molecular Weight401.42 g/mol
Exact Mass401.14
IUPAC Name4-[[2-(1,2-benzoxazol-3-yl)acetyl]amino]-N-(2-methoxyphenyl)benzamide
SMILESCOc1ccccc1NC(=O)c1ccc(NC(=O)Cc2noc3ccccc23)cc1
InChIInChI=1S/C23H19N3O4/c1-29-21-9-5-3-7-18(21)25-23(28)15-10-12-16(13-11-15)24-22(27)14-19-17-6-2-4-8-20(17)30-26-19/h2-13H,14H2,1H3,(H,24,27)(H,25,28)
InChIKeyGXBOWPQXPHWQAJ-UHFFFAOYSA-N
XLogP4.27
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.42
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1,2-benzoxazol-3-yl)-N-(2-methoxyphenyl)acetamide
CID 1235350
N-(3-acetamido-4-methoxyphenyl)-2-(1,2-benzoxazol-3-yl)acetamide
CID 33310841
2-(1,2-benzoxazol-3-yl)-N-(3,5-dimethoxyphenyl)acetamide
CID 9255690
[2-(2-methoxyanilino)-2-oxoethyl] 2-(1,2-benzoxazol-3-yl)acetate
CID 8982841
2-(1,2-benzoxazol-3-yl)-N-(6-methoxy-3-pyridinyl)acetamide
CID 9210932
N-[4-[[2-(1,2-benzoxazol-3-yl)acetyl]amino]-2-methoxyphenyl]-3-methylbutanamide
CID 50958245
2-(1,2-benzoxazol-3-yl)-N-(2-propoxyphenyl)acetamide
CID 51217571
4-[(2-benzo[e][1]benzofuran-1-ylacetyl)amino]-N-(2-methoxyphenyl)benzamide
CID 29292226
N-(2-methoxyphenyl)-4-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]benzamide
CID 16614446
2-(1,2-benzoxazol-3-yl)-N-(4-methylsulfanylphenyl)acetamide
CID 9180265
4-[[2-(3,4-dichlorophenyl)acetyl]amino]-N-(2-methoxyphenyl)benzamide
CID 26522654
[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 2-(1,2-benzoxazol-3-yl)acetate
CID 8985766

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(1,2-benzoxazol-3-yl)acetyl]amino]-N-(2-methoxyphenyl)benzamide?
The IUPAC name of 4-[[2-(1,2-benzoxazol-3-yl)acetyl]amino]-N-(2-methoxyphenyl)benzamide (CID 9270620) is 4-[[2-(1,2-benzoxazol-3-yl)acetyl]amino]-N-(2-methoxyphenyl)benzamide.
What is the SMILES notation for 4-[[2-(1,2-benzoxazol-3-yl)acetyl]amino]-N-(2-methoxyphenyl)benzamide?
The canonical SMILES for 4-[[2-(1,2-benzoxazol-3-yl)acetyl]amino]-N-(2-methoxyphenyl)benzamide is COc1ccccc1NC(=O)c1ccc(NC(=O)Cc2noc3ccccc23)cc1.
What is the InChIKey of 4-[[2-(1,2-benzoxazol-3-yl)acetyl]amino]-N-(2-methoxyphenyl)benzamide?
The InChIKey is GXBOWPQXPHWQAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O4/c1-29-21-9-5-3-7-18(21)25-23(28)15-10-12-16(13-11-15)24-22(27)14-19-17-6-2-4-8-20(17)30-26-19/h2-13H,14H2,1H3,(H,24,27)(H,25,28).
What are the key properties of 4-[[2-(1,2-benzoxazol-3-yl)acetyl]amino]-N-(2-methoxyphenyl)benzamide?
4-[[2-(1,2-benzoxazol-3-yl)acetyl]amino]-N-(2-methoxyphenyl)benzamide has a molecular weight of 401.42 g/mol, XLogP of 4.27, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(1,2-benzoxazol-3-yl)acetyl]amino]-N-(2-methoxyphenyl)benzamide is sourced from PubChem (CID 9270620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).