4-propanoyl-3-propyl-2H-1,2-oxazol-5-one

C9H13NO3 — CID 14955904

IUPAC4-propanoyl-3-propyl-2H-1,2-oxazol-5-one
SMILESCCCc1[nH]oc(=O)c1C(=O)CC
InChIInChI=1S/C9H13NO3/c1-3-5-6-8(7(11)4-2)9(12)13-10-6/h10H,3-5H2,1-2H3
InChIKeyHRIHRRISSWJLBM-UHFFFAOYSA-N
MW183.21 g/mol
LogP1.51
Rot. Bonds4

About 4-propanoyl-3-propyl-2H-1,2-oxazol-5-one

4-propanoyl-3-propyl-2H-1,2-oxazol-5-one (PubChem CID 14955904) has the molecular formula C9H13NO3 and a molecular weight of 183.21 g/mol. Its IUPAC name is 4-propanoyl-3-propyl-2H-1,2-oxazol-5-one.

Molecular Properties

Compound Name4-propanoyl-3-propyl-2H-1,2-oxazol-5-one
PubChem CID14955904
Molecular FormulaC9H13NO3
Molecular Weight183.21 g/mol
Exact Mass183.09
IUPAC Name4-propanoyl-3-propyl-2H-1,2-oxazol-5-one
SMILESCCCc1[nH]oc(=O)c1C(=O)CC
InChIInChI=1S/C9H13NO3/c1-3-5-6-8(7(11)4-2)9(12)13-10-6/h10H,3-5H2,1-2H3
InChIKeyHRIHRRISSWJLBM-UHFFFAOYSA-N
XLogP1.51
TPSA63.07 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-phenyl-4-propanoyl-2H-1,2-oxazol-5-one
CID 14955905
5-oxo-4-propyl-2H-1,2-oxazole-3-carboxylic acid
CID 105434651
4,6-dihydroxy-3,5-di(propanoyl)pyran-2-one
CID 135721853
6-methyl-2-pentyl-3-propanoyl-1H-pyridin-4-one
CID 69178911
1-(2,4-dimethyl-1H-pyrrol-3-yl)propan-1-one
CID 14640954
1-(2,3,4,5,6-pentafluorophenyl)propan-1-one
CID 23263422
6-hydroxy-5-propanoyl-1H-pyrimidine-2,4-dione
CID 1385843
2,4,6-trihydroxy-3-propanoyl-5-propylbenzaldehyde
CID 86123993
(4Z)-4-[(2E,4E)-5-(5-oxo-3-propyl-2H-1,2-oxazol-4-yl)penta-2,4-dienylidene]-3-propyl-1,2-oxazol-5-one
CID 5486688
4,5-dipropyl-1H-pyrrole-2,3-dicarboxylic acid
CID 70349583
butyl-[2-[2-(2-ethylphenyl)-3-oxo-5-propyl-1H-pyrazol-4-yl]-2-oxoethyl]azanium
CID 7417542
5-(4-acetyl-2-pyridinyl)-4-propyl-3H-1,3-oxazol-2-one
CID 155669899

Frequently Asked Questions

What is the IUPAC name of 4-propanoyl-3-propyl-2H-1,2-oxazol-5-one?
The IUPAC name of 4-propanoyl-3-propyl-2H-1,2-oxazol-5-one (CID 14955904) is 4-propanoyl-3-propyl-2H-1,2-oxazol-5-one.
What is the SMILES notation for 4-propanoyl-3-propyl-2H-1,2-oxazol-5-one?
The canonical SMILES for 4-propanoyl-3-propyl-2H-1,2-oxazol-5-one is CCCc1[nH]oc(=O)c1C(=O)CC.
What is the InChIKey of 4-propanoyl-3-propyl-2H-1,2-oxazol-5-one?
The InChIKey is HRIHRRISSWJLBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3/c1-3-5-6-8(7(11)4-2)9(12)13-10-6/h10H,3-5H2,1-2H3.
What are the key properties of 4-propanoyl-3-propyl-2H-1,2-oxazol-5-one?
4-propanoyl-3-propyl-2H-1,2-oxazol-5-one has a molecular weight of 183.21 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propanoyl-3-propyl-2H-1,2-oxazol-5-one is sourced from PubChem (CID 14955904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).