1-(2-propan-2-yl-1,3-benzoxazol-7-yl)ethanone

C12H13NO2 — CID 82230213

IUPAC1-(2-propan-2-yl-1,3-benzoxazol-7-yl)ethanone
SMILESCC(=O)c1cccc2nc(C(C)C)oc12
InChIInChI=1S/C12H13NO2/c1-7(2)12-13-10-6-4-5-9(8(3)14)11(10)15-12/h4-7H,1-3H3
InChIKeyOISGGKNNZNZGMX-UHFFFAOYSA-N
MW203.24 g/mol
LogP3.15
Rot. Bonds2

About 1-(2-propan-2-yl-1,3-benzoxazol-7-yl)ethanone

1-(2-propan-2-yl-1,3-benzoxazol-7-yl)ethanone (PubChem CID 82230213) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is 1-(2-propan-2-yl-1,3-benzoxazol-7-yl)ethanone.

Molecular Properties

Compound Name1-(2-propan-2-yl-1,3-benzoxazol-7-yl)ethanone
PubChem CID82230213
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name1-(2-propan-2-yl-1,3-benzoxazol-7-yl)ethanone
SMILESCC(=O)c1cccc2nc(C(C)C)oc12
InChIInChI=1S/C12H13NO2/c1-7(2)12-13-10-6-4-5-9(8(3)14)11(10)15-12/h4-7H,1-3H3
InChIKeyOISGGKNNZNZGMX-UHFFFAOYSA-N
XLogP3.15
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-ethyl-2-propan-2-yl-1,3-benzoxazole
CID 82229866
1-(2-propan-2-yl-1,3-benzoxazol-7-yl)ethanamine
CID 170958710
2-propan-2-yl-1,3-benzoxazole-7-sulfonyl chloride
CID 83825760
1-(2-cyclopentyl-1,3-benzoxazol-7-yl)ethanone
CID 82231282
2-acetyl-1,3-benzoxazole-7-carboxamide
CID 119020331
3-(7-bromo-1,3-benzoxazol-2-yl)-2-methylbutanoic acid
CID 103500360
5-hydroxy-2-propan-2-yl-1,3-benzoxazole-7-carboxylic acid
CID 84686461
2-(7-fluoro-1,3-benzoxazol-2-yl)propanoic acid
CID 83859229
2-(7-bromo-1,3-benzoxazol-2-yl)propanoic acid
CID 83866963
2-(2-methyl-1,3-benzoxazol-7-yl)-2-oxoacetic acid
CID 117293084
2-(7-ethoxycarbonyl-1,3-benzoxazol-2-yl)-2-hydroxyacetic acid
CID 118814574
3-methyl-N-[[(1R,2R)-2-(2-propan-2-yl-1,3-benzoxazol-7-yl)cyclopropyl]methyl]butanamide
CID 10448368

Frequently Asked Questions

What is the IUPAC name of 1-(2-propan-2-yl-1,3-benzoxazol-7-yl)ethanone?
The IUPAC name of 1-(2-propan-2-yl-1,3-benzoxazol-7-yl)ethanone (CID 82230213) is 1-(2-propan-2-yl-1,3-benzoxazol-7-yl)ethanone.
What is the SMILES notation for 1-(2-propan-2-yl-1,3-benzoxazol-7-yl)ethanone?
The canonical SMILES for 1-(2-propan-2-yl-1,3-benzoxazol-7-yl)ethanone is CC(=O)c1cccc2nc(C(C)C)oc12.
What is the InChIKey of 1-(2-propan-2-yl-1,3-benzoxazol-7-yl)ethanone?
The InChIKey is OISGGKNNZNZGMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c1-7(2)12-13-10-6-4-5-9(8(3)14)11(10)15-12/h4-7H,1-3H3.
What are the key properties of 1-(2-propan-2-yl-1,3-benzoxazol-7-yl)ethanone?
1-(2-propan-2-yl-1,3-benzoxazol-7-yl)ethanone has a molecular weight of 203.24 g/mol, XLogP of 3.15, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-propan-2-yl-1,3-benzoxazol-7-yl)ethanone is sourced from PubChem (CID 82230213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).