5-(2-methylpropyl)-2-phenyl-1,3-oxazol-4-one

C13H15NO2 — CID 11447269

IUPAC5-(2-methylpropyl)-2-phenyl-1,3-oxazol-4-one
SMILESCC(C)CC1OC(c2ccccc2)=NC1=O
InChIInChI=1S/C13H15NO2/c1-9(2)8-11-12(15)14-13(16-11)10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3
InChIKeyIZOGDWQNJOFWIF-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.40
Rot. Bonds3

About 5-(2-methylpropyl)-2-phenyl-1,3-oxazol-4-one

5-(2-methylpropyl)-2-phenyl-1,3-oxazol-4-one (PubChem CID 11447269) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is 5-(2-methylpropyl)-2-phenyl-1,3-oxazol-4-one.

Molecular Properties

Compound Name5-(2-methylpropyl)-2-phenyl-1,3-oxazol-4-one
PubChem CID11447269
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name5-(2-methylpropyl)-2-phenyl-1,3-oxazol-4-one
SMILESCC(C)CC1OC(c2ccccc2)=NC1=O
InChIInChI=1S/C13H15NO2/c1-9(2)8-11-12(15)14-13(16-11)10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3
InChIKeyIZOGDWQNJOFWIF-UHFFFAOYSA-N
XLogP2.40
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4(5H)-Oxazolone, 5,5-dimethyl-2-phenyl-
CID 709402
2-Phenyloxazol-4(5H)-one
CID 6917403
ethyl N-acetylbenzenecarboximidate
CID 4309685
5-Methyl-2-phenyl-1,3-oxazol-4-one
CID 11788573
Methyl N-propanoylbenzenecarboximidate
CID 13553945
5-Phenyl-2-oxazolinone
CID 21452077
5-Acetyl-2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-one
CID 271849
2-(4-Fluorophenyl)oxazol-4(5H)-one
CID 46863997
2-(2,6-difluorophenyl)-4,4-dimethyl-5H-1,3-oxazole-5-carbaldehyde
CID 174767124
(5R)-5-cyclohexyl-2-phenyl-5-[(1S)-1-phenylprop-2-enyl]-1,3-oxazol-4-one
CID 11164252
(5R)-5-methyl-5-[(3S)-5-methylhexa-1,4-dien-3-yl]-2-phenyl-1,3-oxazol-4-one
CID 11231005
(5R)-5-[(1S)-1-(cyclohexen-1-yl)prop-2-enyl]-5-methyl-2-phenyl-1,3-oxazol-4-one
CID 12123228

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpropyl)-2-phenyl-1,3-oxazol-4-one?
The IUPAC name of 5-(2-methylpropyl)-2-phenyl-1,3-oxazol-4-one (CID 11447269) is 5-(2-methylpropyl)-2-phenyl-1,3-oxazol-4-one.
What is the SMILES notation for 5-(2-methylpropyl)-2-phenyl-1,3-oxazol-4-one?
The canonical SMILES for 5-(2-methylpropyl)-2-phenyl-1,3-oxazol-4-one is CC(C)CC1OC(c2ccccc2)=NC1=O.
What is the InChIKey of 5-(2-methylpropyl)-2-phenyl-1,3-oxazol-4-one?
The InChIKey is IZOGDWQNJOFWIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c1-9(2)8-11-12(15)14-13(16-11)10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3.
What are the key properties of 5-(2-methylpropyl)-2-phenyl-1,3-oxazol-4-one?
5-(2-methylpropyl)-2-phenyl-1,3-oxazol-4-one has a molecular weight of 217.27 g/mol, XLogP of 2.40, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpropyl)-2-phenyl-1,3-oxazol-4-one is sourced from PubChem (CID 11447269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).