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

C13H13NO2 — CID 82284648

IUPAC1-(2-cyclopropyl-1,3-benzoxazol-5-yl)propan-1-one
SMILESCCC(=O)c1ccc2oc(C3CC3)nc2c1
InChIInChI=1S/C13H13NO2/c1-2-11(15)9-5-6-12-10(7-9)14-13(16-12)8-3-4-8/h5-8H,2-4H2,1H3
InChIKeyCUAPLYPUNHXLQO-UHFFFAOYSA-N
MW215.25 g/mol
LogP3.30
Rot. Bonds3

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

1-(2-cyclopropyl-1,3-benzoxazol-5-yl)propan-1-one (PubChem CID 82284648) has the molecular formula C13H13NO2 and a molecular weight of 215.25 g/mol. Its IUPAC name is 1-(2-cyclopropyl-1,3-benzoxazol-5-yl)propan-1-one.

Molecular Properties

Compound Name1-(2-cyclopropyl-1,3-benzoxazol-5-yl)propan-1-one
PubChem CID82284648
Molecular FormulaC13H13NO2
Molecular Weight215.25 g/mol
Exact Mass215.09
IUPAC Name1-(2-cyclopropyl-1,3-benzoxazol-5-yl)propan-1-one
SMILESCCC(=O)c1ccc2oc(C3CC3)nc2c1
InChIInChI=1S/C13H13NO2/c1-2-11(15)9-5-6-12-10(7-9)14-13(16-12)8-3-4-8/h5-8H,2-4H2,1H3
InChIKeyCUAPLYPUNHXLQO-UHFFFAOYSA-N
XLogP3.30
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-cyclohexyl-1,3-benzoxazol-5-yl)propan-1-one
CID 82299964
1-(2-cyclopropyl-1,3-benzoxazol-5-yl)butan-1-one
CID 82288409
1-(2-cyclopropyl-1,3-benzoxazol-5-yl)ethanone;ethane
CID 178176303
1-(2-amino-1,3-benzoxazol-5-yl)propan-1-one
CID 15750383
2-cyclohexyl-1,3-benzoxazole-5-carboxylic acid
CID 28752317
2-[1-(2-cyclopropyl-1,3-benzoxazole-5-carbonyl)piperidin-4-yl]acetic acid
CID 176515559
2-[(2-cyclopropyl-1,3-benzoxazol-5-yl)amino]butanoic acid
CID 115352566
methyl 4-(5-bromo-1,3-benzoxazol-2-yl)cyclohexane-1-carboxylate
CID 135155937
N-butan-2-yl-2-[1-(2-cyclopropyl-1,3-benzoxazole-5-carbonyl)piperidin-4-yl]acetamide
CID 53103445
N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-4-(4-fluorophenyl)-4-oxobutanamide
CID 46424661
N-butyl-2-[1-(2-cyclopropyl-1,3-benzoxazole-5-carbonyl)piperidin-4-yl]acetamide
CID 53103472
1-(2-thiophen-2-yl-1,3-benzoxazol-5-yl)propan-1-one
CID 82299953

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopropyl-1,3-benzoxazol-5-yl)propan-1-one?
The IUPAC name of 1-(2-cyclopropyl-1,3-benzoxazol-5-yl)propan-1-one (CID 82284648) is 1-(2-cyclopropyl-1,3-benzoxazol-5-yl)propan-1-one.
What is the SMILES notation for 1-(2-cyclopropyl-1,3-benzoxazol-5-yl)propan-1-one?
The canonical SMILES for 1-(2-cyclopropyl-1,3-benzoxazol-5-yl)propan-1-one is CCC(=O)c1ccc2oc(C3CC3)nc2c1.
What is the InChIKey of 1-(2-cyclopropyl-1,3-benzoxazol-5-yl)propan-1-one?
The InChIKey is CUAPLYPUNHXLQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2/c1-2-11(15)9-5-6-12-10(7-9)14-13(16-12)8-3-4-8/h5-8H,2-4H2,1H3.
What are the key properties of 1-(2-cyclopropyl-1,3-benzoxazol-5-yl)propan-1-one?
1-(2-cyclopropyl-1,3-benzoxazol-5-yl)propan-1-one has a molecular weight of 215.25 g/mol, XLogP of 3.30, 3 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)propan-1-one is sourced from PubChem (CID 82284648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).