2-(1,2-benzoxazol-3-yl)-N-(4-methylsulfanylphenyl)acetamide

C16H14N2O2S — CID 9180265

IUPAC2-(1,2-benzoxazol-3-yl)-N-(4-methylsulfanylphenyl)acetamide
SMILESCSc1ccc(NC(=O)Cc2noc3ccccc23)cc1
InChIInChI=1S/C16H14N2O2S/c1-21-12-8-6-11(7-9-12)17-16(19)10-14-13-4-2-3-5-15(13)20-18-14/h2-9H,10H2,1H3,(H,17,19)
InChIKeyIYQMFGHOMZQDSV-UHFFFAOYSA-N
MW298.37 g/mol
LogP3.73
Rot. Bonds4

About 2-(1,2-benzoxazol-3-yl)-N-(4-methylsulfanylphenyl)acetamide

2-(1,2-benzoxazol-3-yl)-N-(4-methylsulfanylphenyl)acetamide (PubChem CID 9180265) has the molecular formula C16H14N2O2S and a molecular weight of 298.37 g/mol. Its IUPAC name is 2-(1,2-benzoxazol-3-yl)-N-(4-methylsulfanylphenyl)acetamide.

Molecular Properties

Compound Name2-(1,2-benzoxazol-3-yl)-N-(4-methylsulfanylphenyl)acetamide
PubChem CID9180265
Molecular FormulaC16H14N2O2S
Molecular Weight298.37 g/mol
Exact Mass298.08
IUPAC Name2-(1,2-benzoxazol-3-yl)-N-(4-methylsulfanylphenyl)acetamide
SMILESCSc1ccc(NC(=O)Cc2noc3ccccc23)cc1
InChIInChI=1S/C16H14N2O2S/c1-21-12-8-6-11(7-9-12)17-16(19)10-14-13-4-2-3-5-15(13)20-18-14/h2-9H,10H2,1H3,(H,17,19)
InChIKeyIYQMFGHOMZQDSV-UHFFFAOYSA-N
XLogP3.73
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,2-benzoxazol-3-yl)-N-(4-butylphenyl)acetamide
CID 9206772
2-(1,2-benzoxazol-3-yl)-N-(3-fluoro-4-hydroxyphenyl)acetamide
CID 64781445
2-(1,2-benzoxazol-3-yl)-N-[4-(difluoromethoxy)phenyl]acetamide
CID 8927421
2-(1,2-benzoxazol-3-yl)-N-(3,5-dimethoxyphenyl)acetamide
CID 9255690
2-(1,2-benzoxazol-3-yl)-N-(4-morpholin-4-ylphenyl)acetamide
CID 35148080
2-(1,2-benzoxazol-3-yl)-N-(6-methoxy-3-pyridinyl)acetamide
CID 9210932
2-(1,2-benzoxazol-3-yl)-N-(1-methylpyrazol-4-yl)acetamide
CID 32605703
2-(1,2-benzoxazol-3-yl)-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]acetamide
CID 49423848
N-[4-(azepane-1-carbonyl)phenyl]-2-(1,2-benzoxazol-3-yl)acetamide
CID 71890231
4-[[2-(1,2-benzoxazol-3-yl)acetyl]amino]-N-(2-methoxyphenyl)benzamide
CID 9270620
2-(1,2-benzoxazol-3-yl)-N-(4,5,6-trimethylpyrimidin-2-yl)acetamide
CID 162626547
N-(3-acetamido-4-methoxyphenyl)-2-(1,2-benzoxazol-3-yl)acetamide
CID 33310841

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-benzoxazol-3-yl)-N-(4-methylsulfanylphenyl)acetamide?
The IUPAC name of 2-(1,2-benzoxazol-3-yl)-N-(4-methylsulfanylphenyl)acetamide (CID 9180265) is 2-(1,2-benzoxazol-3-yl)-N-(4-methylsulfanylphenyl)acetamide.
What is the SMILES notation for 2-(1,2-benzoxazol-3-yl)-N-(4-methylsulfanylphenyl)acetamide?
The canonical SMILES for 2-(1,2-benzoxazol-3-yl)-N-(4-methylsulfanylphenyl)acetamide is CSc1ccc(NC(=O)Cc2noc3ccccc23)cc1.
What is the InChIKey of 2-(1,2-benzoxazol-3-yl)-N-(4-methylsulfanylphenyl)acetamide?
The InChIKey is IYQMFGHOMZQDSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2S/c1-21-12-8-6-11(7-9-12)17-16(19)10-14-13-4-2-3-5-15(13)20-18-14/h2-9H,10H2,1H3,(H,17,19).
What are the key properties of 2-(1,2-benzoxazol-3-yl)-N-(4-methylsulfanylphenyl)acetamide?
2-(1,2-benzoxazol-3-yl)-N-(4-methylsulfanylphenyl)acetamide has a molecular weight of 298.37 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-benzoxazol-3-yl)-N-(4-methylsulfanylphenyl)acetamide is sourced from PubChem (CID 9180265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).