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

C14H15NO2 — CID 82231282

IUPAC1-(2-cyclopentyl-1,3-benzoxazol-7-yl)ethanone
SMILESCC(=O)c1cccc2nc(C3CCCC3)oc12
InChIInChI=1S/C14H15NO2/c1-9(16)11-7-4-8-12-13(11)17-14(15-12)10-5-2-3-6-10/h4,7-8,10H,2-3,5-6H2,1H3
InChIKeyUQGIMOSAJCAAGQ-UHFFFAOYSA-N
MW229.28 g/mol
LogP3.69
Rot. Bonds2

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

1-(2-cyclopentyl-1,3-benzoxazol-7-yl)ethanone (PubChem CID 82231282) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is 1-(2-cyclopentyl-1,3-benzoxazol-7-yl)ethanone.

Molecular Properties

Compound Name1-(2-cyclopentyl-1,3-benzoxazol-7-yl)ethanone
PubChem CID82231282
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Name1-(2-cyclopentyl-1,3-benzoxazol-7-yl)ethanone
SMILESCC(=O)c1cccc2nc(C3CCCC3)oc12
InChIInChI=1S/C14H15NO2/c1-9(16)11-7-4-8-12-13(11)17-14(15-12)10-5-2-3-6-10/h4,7-8,10H,2-3,5-6H2,1H3
InChIKeyUQGIMOSAJCAAGQ-UHFFFAOYSA-N
XLogP3.69
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-bromo-2-cyclopropyl-1,3-benzoxazol-7-yl)ethanone
CID 82233643
2-(2-cyclopropyl-1,3-benzoxazol-7-yl)acetic acid
CID 83887429
1-(2-propan-2-yl-1,3-benzoxazol-7-yl)ethanone
CID 82230213
2-cyclopropyl-7-ethyl-1,3-benzoxazole
CID 82229837
2-(2-methylcyclopropyl)-1,3-benzoxazole-7-carboxylic acid
CID 81346356
2-(5-methyloxolan-2-yl)-1,3-benzoxazole-7-carboxylic acid
CID 81346576
1-[2-(1,4-diazepan-1-yl)-1,3-benzoxazol-7-yl]ethanone
CID 82232882
3-(7-methyl-1,3-benzoxazol-2-yl)cyclopentane-1-carboxylic acid
CID 103551979
6,7-dichloro-2-cyclopentyl-1,3-benzoxazole
CID 82232727
methyl 2-[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]-1,3-benzoxazole-7-carboxylate
CID 75132039
2-(7-carbamoyl-1,3-benzoxazol-2-yl)pyrrolidine-1-carboxylic acid
CID 91442299
2-acetyl-1,3-benzoxazole-7-carboxamide
CID 119020331

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopentyl-1,3-benzoxazol-7-yl)ethanone?
The IUPAC name of 1-(2-cyclopentyl-1,3-benzoxazol-7-yl)ethanone (CID 82231282) is 1-(2-cyclopentyl-1,3-benzoxazol-7-yl)ethanone.
What is the SMILES notation for 1-(2-cyclopentyl-1,3-benzoxazol-7-yl)ethanone?
The canonical SMILES for 1-(2-cyclopentyl-1,3-benzoxazol-7-yl)ethanone is CC(=O)c1cccc2nc(C3CCCC3)oc12.
What is the InChIKey of 1-(2-cyclopentyl-1,3-benzoxazol-7-yl)ethanone?
The InChIKey is UQGIMOSAJCAAGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2/c1-9(16)11-7-4-8-12-13(11)17-14(15-12)10-5-2-3-6-10/h4,7-8,10H,2-3,5-6H2,1H3.
What are the key properties of 1-(2-cyclopentyl-1,3-benzoxazol-7-yl)ethanone?
1-(2-cyclopentyl-1,3-benzoxazol-7-yl)ethanone has a molecular weight of 229.28 g/mol, XLogP of 3.69, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopentyl-1,3-benzoxazol-7-yl)ethanone is sourced from PubChem (CID 82231282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).