1-(2-cyclopropyl-1,3-benzoxazol-5-yl)butan-1-one

C14H15NO2 — CID 82288409

IUPAC1-(2-cyclopropyl-1,3-benzoxazol-5-yl)butan-1-one
SMILESCCCC(=O)c1ccc2oc(C3CC3)nc2c1
InChIInChI=1S/C14H15NO2/c1-2-3-12(16)10-6-7-13-11(8-10)15-14(17-13)9-4-5-9/h6-9H,2-5H2,1H3
InChIKeyJUJSZMSJYDLSRS-UHFFFAOYSA-N
MW229.28 g/mol
LogP3.69
Rot. Bonds4

About 1-(2-cyclopropyl-1,3-benzoxazol-5-yl)butan-1-one

1-(2-cyclopropyl-1,3-benzoxazol-5-yl)butan-1-one (PubChem CID 82288409) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is 1-(2-cyclopropyl-1,3-benzoxazol-5-yl)butan-1-one.

Molecular Properties

Compound Name1-(2-cyclopropyl-1,3-benzoxazol-5-yl)butan-1-one
PubChem CID82288409
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Name1-(2-cyclopropyl-1,3-benzoxazol-5-yl)butan-1-one
SMILESCCCC(=O)c1ccc2oc(C3CC3)nc2c1
InChIInChI=1S/C14H15NO2/c1-2-3-12(16)10-6-7-13-11(8-10)15-14(17-13)9-4-5-9/h6-9H,2-5H2,1H3
InChIKeyJUJSZMSJYDLSRS-UHFFFAOYSA-N
XLogP3.69
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
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-(2-cyclopropyl-1,3-benzoxazol-5-yl)propan-1-one
CID 82284648
1-(2-cyclohexyl-1,3-benzoxazol-5-yl)propan-1-one
CID 82299964
1-(2-cyclopropyl-1,3-benzoxazol-5-yl)ethanone;ethane
CID 178176303
2-cyclohexyl-1,3-benzoxazole-5-carboxylic acid
CID 28752317
N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-4-(4-fluorophenyl)-4-oxobutanamide
CID 46424661
2-[1-(2-cyclopropyl-1,3-benzoxazole-5-carbonyl)piperidin-4-yl]acetic acid
CID 176515559
N-butyl-2-[1-(2-cyclopropyl-1,3-benzoxazole-5-carbonyl)piperidin-4-yl]acetamide
CID 53103472
1-(6-butanoylnaphthalen-2-yl)butan-1-one
CID 170450514
2-[(2-cyclopropyl-1,3-benzoxazol-5-yl)amino]butanoic acid
CID 115352566
N-butan-2-yl-2-[1-(2-cyclopropyl-1,3-benzoxazole-5-carbonyl)piperidin-4-yl]acetamide
CID 53103445
(2S,3S)-2-amino-N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-3-methylpentanamide
CID 61178533
2-cyclopropyl-5-(2-methylpropyl)-1,3-benzoxazole
CID 82230675

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopropyl-1,3-benzoxazol-5-yl)butan-1-one?
The IUPAC name of 1-(2-cyclopropyl-1,3-benzoxazol-5-yl)butan-1-one (CID 82288409) is 1-(2-cyclopropyl-1,3-benzoxazol-5-yl)butan-1-one.
What is the SMILES notation for 1-(2-cyclopropyl-1,3-benzoxazol-5-yl)butan-1-one?
The canonical SMILES for 1-(2-cyclopropyl-1,3-benzoxazol-5-yl)butan-1-one is CCCC(=O)c1ccc2oc(C3CC3)nc2c1.
What is the InChIKey of 1-(2-cyclopropyl-1,3-benzoxazol-5-yl)butan-1-one?
The InChIKey is JUJSZMSJYDLSRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2/c1-2-3-12(16)10-6-7-13-11(8-10)15-14(17-13)9-4-5-9/h6-9H,2-5H2,1H3.
What are the key properties of 1-(2-cyclopropyl-1,3-benzoxazol-5-yl)butan-1-one?
1-(2-cyclopropyl-1,3-benzoxazol-5-yl)butan-1-one has a molecular weight of 229.28 g/mol, XLogP of 3.69, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopropyl-1,3-benzoxazol-5-yl)butan-1-one is sourced from PubChem (CID 82288409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).