4-hexanoyl-2-phenyl-4H-1,3-oxazol-5-one

C15H17NO3 — CID 14787207

IUPAC4-hexanoyl-2-phenyl-4H-1,3-oxazol-5-one
SMILESCCCCCC(=O)C1N=C(c2ccccc2)OC1=O
InChIInChI=1S/C15H17NO3/c1-2-3-5-10-12(17)13-15(18)19-14(16-13)11-8-6-4-7-9-11/h4,6-9,13H,2-3,5,10H2,1H3
InChIKeyGUIZPLYHZWSEOE-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.51
Rot. Bonds6

About 4-hexanoyl-2-phenyl-4H-1,3-oxazol-5-one

4-hexanoyl-2-phenyl-4H-1,3-oxazol-5-one (PubChem CID 14787207) has the molecular formula C15H17NO3 and a molecular weight of 259.31 g/mol. Its IUPAC name is 4-hexanoyl-2-phenyl-4H-1,3-oxazol-5-one.

Molecular Properties

Compound Name4-hexanoyl-2-phenyl-4H-1,3-oxazol-5-one
PubChem CID14787207
Molecular FormulaC15H17NO3
Molecular Weight259.31 g/mol
Exact Mass259.12
IUPAC Name4-hexanoyl-2-phenyl-4H-1,3-oxazol-5-one
SMILESCCCCCC(=O)C1N=C(c2ccccc2)OC1=O
InChIInChI=1S/C15H17NO3/c1-2-3-5-10-12(17)13-15(18)19-14(16-13)11-8-6-4-7-9-11/h4,6-9,13H,2-3,5,10H2,1H3
InChIKeyGUIZPLYHZWSEOE-UHFFFAOYSA-N
XLogP2.51
TPSA55.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

4-Methyl-2-phenyl-2-oxazoline-5-one
CID 495826
Methyl (4S,5S)-dihydro-5-methyl-2-phenyl-4-oxazolecarboxylate
CID 719711
Methyl (S)-(+)-4,5-dihydro-2-phenyl-4-oxazolecarboxylate
CID 11074512
2,4-Diphenyl-1,3-oxazol-5(4h)-one
CID 223025
4-Isopropyl-2-phenyl-2-oxazoline-5-one
CID 339098
Methyl 2-phenyl-4,5-dihydro-1,3-oxazole-4-carboxylate
CID 3609401
4-Benzyl-2-phenyl-2-oxazolin-5-one
CID 2756650
(4S,5S)-5-methyl-2-phenyl-4,5-dihydrooxazole-4-carboxylic acid
CID 46889284
2-Phenyl-2-oxazoline-4-carboxylic acid tert-butyl ester
CID 11736742
Isopropyl 2-phenyl-2-oxazoline-4-carboxylate
CID 589632
(4S, 5R) 5-methyl-2-phenyl-4,5-dihydrooxazole-4-carboxylic acid methyl ester
CID 719713
(4S)-2-phenyl-4-propan-2-yl-4H-1,3-oxazol-5-one
CID 6992728

Frequently Asked Questions

What is the IUPAC name of 4-hexanoyl-2-phenyl-4H-1,3-oxazol-5-one?
The IUPAC name of 4-hexanoyl-2-phenyl-4H-1,3-oxazol-5-one (CID 14787207) is 4-hexanoyl-2-phenyl-4H-1,3-oxazol-5-one.
What is the SMILES notation for 4-hexanoyl-2-phenyl-4H-1,3-oxazol-5-one?
The canonical SMILES for 4-hexanoyl-2-phenyl-4H-1,3-oxazol-5-one is CCCCCC(=O)C1N=C(c2ccccc2)OC1=O.
What is the InChIKey of 4-hexanoyl-2-phenyl-4H-1,3-oxazol-5-one?
The InChIKey is GUIZPLYHZWSEOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c1-2-3-5-10-12(17)13-15(18)19-14(16-13)11-8-6-4-7-9-11/h4,6-9,13H,2-3,5,10H2,1H3.
What are the key properties of 4-hexanoyl-2-phenyl-4H-1,3-oxazol-5-one?
4-hexanoyl-2-phenyl-4H-1,3-oxazol-5-one has a molecular weight of 259.31 g/mol, XLogP of 2.51, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hexanoyl-2-phenyl-4H-1,3-oxazol-5-one is sourced from PubChem (CID 14787207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).