1-(2-methyl-1,3-benzoxazol-4-yl)ethanone

C10H9NO2 — CID 59626054

IUPAC1-(2-methyl-1,3-benzoxazol-4-yl)ethanone
SMILESCC(=O)c1cccc2oc(C)nc12
InChIInChI=1S/C10H9NO2/c1-6(12)8-4-3-5-9-10(8)11-7(2)13-9/h3-5H,1-2H3
InChIKeyXASFAIRMVCKIIB-UHFFFAOYSA-N
MW175.19 g/mol
LogP2.34
Rot. Bonds1

About 1-(2-methyl-1,3-benzoxazol-4-yl)ethanone

1-(2-methyl-1,3-benzoxazol-4-yl)ethanone (PubChem CID 59626054) has the molecular formula C10H9NO2 and a molecular weight of 175.19 g/mol. Its IUPAC name is 1-(2-methyl-1,3-benzoxazol-4-yl)ethanone.

Molecular Properties

Compound Name1-(2-methyl-1,3-benzoxazol-4-yl)ethanone
PubChem CID59626054
Molecular FormulaC10H9NO2
Molecular Weight175.19 g/mol
Exact Mass175.06
IUPAC Name1-(2-methyl-1,3-benzoxazol-4-yl)ethanone
SMILESCC(=O)c1cccc2oc(C)nc12
InChIInChI=1S/C10H9NO2/c1-6(12)8-4-3-5-9-10(8)11-7(2)13-9/h3-5H,1-2H3
InChIKeyXASFAIRMVCKIIB-UHFFFAOYSA-N
XLogP2.34
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-methyl-1,3-benzoxazole-4-carboxylate
CID 14616762
2-(4-acetyl-1,3-benzoxazol-2-yl)acetonitrile
CID 118811480
(2-methyl-1,3-benzoxazol-4-yl)methanol;methyl 2-methyl-1,3-benzoxazole-4-carboxylate
CID 158641727
9-acetylphenoxazin-3-one
CID 21074451
ethyl 2-[tert-butyl-(2-methyl-1,3-benzoxazole-4-carbonyl)amino]acetate
CID 122150488
2-methyl-1,3-benzoxazole-4,5-dicarboxylic acid
CID 19800639
N-(2-iodo-1-azabicyclo[2.2.2]octan-3-yl)-2-methyl-1,3-benzoxazole-4-carboxamide
CID 69177534
2-(4-methylphenyl)-1,3-benzoxazole-4-carboxamide
CID 66620652
ethyl 3-[(2-methyl-1,3-benzoxazol-4-yl)oxy]but-2-enoate
CID 66895112
3-(2-methyl-1,3-benzoxazol-4-yl)propan-1-ol
CID 117282271
N-(1-benzylpyrrolidin-3-yl)-N,2-dimethyl-1,3-benzoxazole-4-carboxamide
CID 136538580
1-quinazolin-8-ylethanone
CID 133054945

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-1,3-benzoxazol-4-yl)ethanone?
The IUPAC name of 1-(2-methyl-1,3-benzoxazol-4-yl)ethanone (CID 59626054) is 1-(2-methyl-1,3-benzoxazol-4-yl)ethanone.
What is the SMILES notation for 1-(2-methyl-1,3-benzoxazol-4-yl)ethanone?
The canonical SMILES for 1-(2-methyl-1,3-benzoxazol-4-yl)ethanone is CC(=O)c1cccc2oc(C)nc12.
What is the InChIKey of 1-(2-methyl-1,3-benzoxazol-4-yl)ethanone?
The InChIKey is XASFAIRMVCKIIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO2/c1-6(12)8-4-3-5-9-10(8)11-7(2)13-9/h3-5H,1-2H3.
What are the key properties of 1-(2-methyl-1,3-benzoxazol-4-yl)ethanone?
1-(2-methyl-1,3-benzoxazol-4-yl)ethanone has a molecular weight of 175.19 g/mol, XLogP of 2.34, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-1,3-benzoxazol-4-yl)ethanone is sourced from PubChem (CID 59626054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).