2-(1,2-benzoxazol-3-yl)-N-(3-methylphenyl)acetamide

C16H14N2O2 — CID 1235346

IUPAC2-(1,2-benzoxazol-3-yl)-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)Cc2noc3ccccc23)c1
InChIInChI=1S/C16H14N2O2/c1-11-5-4-6-12(9-11)17-16(19)10-14-13-7-2-3-8-15(13)20-18-14/h2-9H,10H2,1H3,(H,17,19)
InChIKeyQWKZSVVDCYCSNO-UHFFFAOYSA-N
MW266.30 g/mol
LogP3.32
Rot. Bonds3

About 2-(1,2-benzoxazol-3-yl)-N-(3-methylphenyl)acetamide

2-(1,2-benzoxazol-3-yl)-N-(3-methylphenyl)acetamide (PubChem CID 1235346) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-(1,2-benzoxazol-3-yl)-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(1,2-benzoxazol-3-yl)-N-(3-methylphenyl)acetamide
PubChem CID1235346
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name2-(1,2-benzoxazol-3-yl)-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)Cc2noc3ccccc23)c1
InChIInChI=1S/C16H14N2O2/c1-11-5-4-6-12(9-11)17-16(19)10-14-13-7-2-3-8-15(13)20-18-14/h2-9H,10H2,1H3,(H,17,19)
InChIKeyQWKZSVVDCYCSNO-UHFFFAOYSA-N
XLogP3.32
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-(1-benzylpiperidin-4-yl)ethyl)-5H-isoxazolo[5,4-f]indol-6(7H)-one
CID 9976761
N-(3-(2-(1-benzylpiperidin-4-yl)ethyl)benzo[d]isoxazol-6-yl)benzamide
CID 3073076
2-(1,2-benzoxazol-3-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 1482045
N-[3-[2-(1-benzylpiperidin-4-yl)ethyl]-1,2-benzoxazol-6-yl]acetamide
CID 10110147
N-(2,6-Diisopropyl-phenyl)-2-(5-dodecyl-isoxazol-3-yl)-2-phenyl-acetamide
CID 10720988
N-(2,4-Difluoro-phenyl)-2-(5-dodecyl-isoxazol-3-yl)-2-phenyl-acetamide
CID 18955388
HIF-1alpha-IN-4
CID 165412813
N-(3-acetylphenyl)-1,2-benzoxazole-3-carboxamide
CID 167437420
N-phenyl-1,2-benzoxazole-3-carboxamide
CID 167437421
3-[4-(2-Methylpropanoylamino)phenyl]-2,1-benzoxazole-5-carboxylic acid
CID 168297186
1,2-Benzisoxazole-3-acetamide
CID 323639
2-(1,2-benzoxazol-3-yl)-N-(4-chlorophenyl)acetamide
CID 1235347

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-benzoxazol-3-yl)-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-(1,2-benzoxazol-3-yl)-N-(3-methylphenyl)acetamide (CID 1235346) is 2-(1,2-benzoxazol-3-yl)-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-(1,2-benzoxazol-3-yl)-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-(1,2-benzoxazol-3-yl)-N-(3-methylphenyl)acetamide is Cc1cccc(NC(=O)Cc2noc3ccccc23)c1.
What is the InChIKey of 2-(1,2-benzoxazol-3-yl)-N-(3-methylphenyl)acetamide?
The InChIKey is QWKZSVVDCYCSNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c1-11-5-4-6-12(9-11)17-16(19)10-14-13-7-2-3-8-15(13)20-18-14/h2-9H,10H2,1H3,(H,17,19).
What are the key properties of 2-(1,2-benzoxazol-3-yl)-N-(3-methylphenyl)acetamide?
2-(1,2-benzoxazol-3-yl)-N-(3-methylphenyl)acetamide has a molecular weight of 266.30 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-benzoxazol-3-yl)-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 1235346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).