1-(4-cyclopropyl-1,3-oxazol-5-yl)ethanone

C8H9NO2 — CID 82377780

IUPAC1-(4-cyclopropyl-1,3-oxazol-5-yl)ethanone
SMILESCC(=O)c1ocnc1C1CC1
InChIInChI=1S/C8H9NO2/c1-5(10)8-7(6-2-3-6)9-4-11-8/h4,6H,2-3H2,1H3
InChIKeyZMWZOKHLUXLMMM-UHFFFAOYSA-N
MW151.17 g/mol
LogP1.75
Rot. Bonds2

About 1-(4-cyclopropyl-1,3-oxazol-5-yl)ethanone

1-(4-cyclopropyl-1,3-oxazol-5-yl)ethanone (PubChem CID 82377780) has the molecular formula C8H9NO2 and a molecular weight of 151.17 g/mol. Its IUPAC name is 1-(4-cyclopropyl-1,3-oxazol-5-yl)ethanone.

Molecular Properties

Compound Name1-(4-cyclopropyl-1,3-oxazol-5-yl)ethanone
PubChem CID82377780
Molecular FormulaC8H9NO2
Molecular Weight151.17 g/mol
Exact Mass151.06
IUPAC Name1-(4-cyclopropyl-1,3-oxazol-5-yl)ethanone
SMILESCC(=O)c1ocnc1C1CC1
InChIInChI=1S/C8H9NO2/c1-5(10)8-7(6-2-3-6)9-4-11-8/h4,6H,2-3H2,1H3
InChIKeyZMWZOKHLUXLMMM-UHFFFAOYSA-N
XLogP1.75
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.17
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-Cyclopropyl-1,3-oxazole-4-carbaldehyde
CID 82418589
4-Cyclopropyl-1,3-oxazole-5-carbaldehyde
CID 83815080
1-(4-Methyloxazol-5-yl)ethanone
CID 11029839
1-(2,4-Dicyclopropyl-1,3-oxazol-5-yl)ethanone
CID 46854040
Ethyl 4-cyclopropyl-1,3-oxazole-5-carboxylate
CID 138974798
Cyclopropyl-(4-methyl-1,3-oxazol-5-yl)methanone
CID 18936297
4-Methyl-5-propionyloxazole
CID 18936329
4-(2,2-Dimethylpropyl)-5-ethyl-1,3-oxazole
CID 58157895
4-Ethyl-5-(2-methylpropyl)-1,3-oxazole
CID 68244323
2-Methyl-1-(4-methyl-1,3-oxazol-5-yl)propan-1-one
CID 83681985
5-Ethyl-4-propyl-1,3-oxazole
CID 88974442
5-(2-Methylpropyl)-4-propyl-1,3-oxazole
CID 88974463

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopropyl-1,3-oxazol-5-yl)ethanone?
The IUPAC name of 1-(4-cyclopropyl-1,3-oxazol-5-yl)ethanone (CID 82377780) is 1-(4-cyclopropyl-1,3-oxazol-5-yl)ethanone.
What is the SMILES notation for 1-(4-cyclopropyl-1,3-oxazol-5-yl)ethanone?
The canonical SMILES for 1-(4-cyclopropyl-1,3-oxazol-5-yl)ethanone is CC(=O)c1ocnc1C1CC1.
What is the InChIKey of 1-(4-cyclopropyl-1,3-oxazol-5-yl)ethanone?
The InChIKey is ZMWZOKHLUXLMMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2/c1-5(10)8-7(6-2-3-6)9-4-11-8/h4,6H,2-3H2,1H3.
What are the key properties of 1-(4-cyclopropyl-1,3-oxazol-5-yl)ethanone?
1-(4-cyclopropyl-1,3-oxazol-5-yl)ethanone has a molecular weight of 151.17 g/mol, XLogP of 1.75, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclopropyl-1,3-oxazol-5-yl)ethanone is sourced from PubChem (CID 82377780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).