1-(5-methyl-1,3-benzoxazol-2-yl)ethanone

C10H9NO2 — CID 82598754

IUPAC1-(5-methyl-1,3-benzoxazol-2-yl)ethanone
SMILESCC(=O)c1nc2cc(C)ccc2o1
InChIInChI=1S/C10H9NO2/c1-6-3-4-9-8(5-6)11-10(13-9)7(2)12/h3-5H,1-2H3
InChIKeyBPJOLCBKCDWZLS-UHFFFAOYSA-N
MW175.19 g/mol
LogP2.34
Rot. Bonds1

About 1-(5-methyl-1,3-benzoxazol-2-yl)ethanone

1-(5-methyl-1,3-benzoxazol-2-yl)ethanone (PubChem CID 82598754) has the molecular formula C10H9NO2 and a molecular weight of 175.19 g/mol. Its IUPAC name is 1-(5-methyl-1,3-benzoxazol-2-yl)ethanone.

Molecular Properties

Compound Name1-(5-methyl-1,3-benzoxazol-2-yl)ethanone
PubChem CID82598754
Molecular FormulaC10H9NO2
Molecular Weight175.19 g/mol
Exact Mass175.06
IUPAC Name1-(5-methyl-1,3-benzoxazol-2-yl)ethanone
SMILESCC(=O)c1nc2cc(C)ccc2o1
InChIInChI=1S/C10H9NO2/c1-6-3-4-9-8(5-6)11-10(13-9)7(2)12/h3-5H,1-2H3
InChIKeyBPJOLCBKCDWZLS-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

1-[5-(difluoromethyl)-1,3-benzoxazol-2-yl]ethanone
CID 84678155
2-ethylsulfonyl-1-(5-methyl-1,3-benzoxazol-2-yl)ethanone
CID 160841704
ethyl N-[(5-methyl-1,3-benzoxazole-2-carbonyl)amino]carbamate
CID 13447629
methyl N-(5-methyl-1,3-benzoxazol-2-yl)ethanimidothioate
CID 162183308
3-(5-methyl-1,3-benzoxazol-2-yl)prop-2-enoic acid
CID 131333880
N-hydroxy-2-[(5-methyl-1,3-benzoxazol-2-yl)sulfanyl]acetamide
CID 177370191
(2E)-N-methyl-2-(5-methyl-1,3-benzoxazol-2-yl)penta-2,4-dien-1-imine
CID 145026026
5-methyl-2-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole
CID 11588133
3-amino-2-(5-methyl-1,3-benzoxazol-2-yl)-3-oxopropanoic acid
CID 57017901
2-[methyl-(5-methyl-1,3-benzoxazol-2-yl)amino]propanoic acid
CID 83841395
1-(5-methyl-1-benzofuran-2-yl)ethanone
CID 15549614
3,6-dimethyl-2-(5-methyl-1,3-benzoxazol-2-yl)benzoic acid
CID 103430680

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-1,3-benzoxazol-2-yl)ethanone?
The IUPAC name of 1-(5-methyl-1,3-benzoxazol-2-yl)ethanone (CID 82598754) is 1-(5-methyl-1,3-benzoxazol-2-yl)ethanone.
What is the SMILES notation for 1-(5-methyl-1,3-benzoxazol-2-yl)ethanone?
The canonical SMILES for 1-(5-methyl-1,3-benzoxazol-2-yl)ethanone is CC(=O)c1nc2cc(C)ccc2o1.
What is the InChIKey of 1-(5-methyl-1,3-benzoxazol-2-yl)ethanone?
The InChIKey is BPJOLCBKCDWZLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO2/c1-6-3-4-9-8(5-6)11-10(13-9)7(2)12/h3-5H,1-2H3.
What are the key properties of 1-(5-methyl-1,3-benzoxazol-2-yl)ethanone?
1-(5-methyl-1,3-benzoxazol-2-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-(5-methyl-1,3-benzoxazol-2-yl)ethanone is sourced from PubChem (CID 82598754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).