2-(2-methylphenyl)-4-propan-2-yl-4H-1,3-oxazol-5-one

C13H15NO2 — CID 101498715

IUPAC2-(2-methylphenyl)-4-propan-2-yl-4H-1,3-oxazol-5-one
SMILESCc1ccccc1C1=NC(C(C)C)C(=O)O1
InChIInChI=1S/C13H15NO2/c1-8(2)11-13(15)16-12(14-11)10-7-5-4-6-9(10)3/h4-8,11H,1-3H3
InChIKeyJCTSIAHVAHWVMN-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.32
Rot. Bonds2

About 2-(2-methylphenyl)-4-propan-2-yl-4H-1,3-oxazol-5-one

2-(2-methylphenyl)-4-propan-2-yl-4H-1,3-oxazol-5-one (PubChem CID 101498715) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is 2-(2-methylphenyl)-4-propan-2-yl-4H-1,3-oxazol-5-one.

Molecular Properties

Compound Name2-(2-methylphenyl)-4-propan-2-yl-4H-1,3-oxazol-5-one
PubChem CID101498715
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name2-(2-methylphenyl)-4-propan-2-yl-4H-1,3-oxazol-5-one
SMILESCc1ccccc1C1=NC(C(C)C)C(=O)O1
InChIInChI=1S/C13H15NO2/c1-8(2)11-13(15)16-12(14-11)10-7-5-4-6-9(10)3/h4-8,11H,1-3H3
InChIKeyJCTSIAHVAHWVMN-UHFFFAOYSA-N
XLogP2.32
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-Methyl-2-phenyl-2-oxazoline-5-one
CID 495826
Azlactone
CID 65073
4-Isopropylidene-2-phenyl-5(4H)-oxazole
CID 225481
Methyl (4S,5S)-dihydro-5-methyl-2-phenyl-4-oxazolecarboxylate
CID 719711
Methyl (S)-(+)-4,5-dihydro-2-phenyl-4-oxazolecarboxylate
CID 11074512
benzyl (4S)-2-phenyl-4,5-dihydrooxazole-4-carboxylate
CID 46201142
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)-2-phenyl-4,5-dihydro-1,3-oxazole-4-carboxylic Acid
CID 11218129
2-Phenyl-4,5-dihydro-oxazole-4-carboxylic acid
CID 22220877
(4S,5S)-5-methyl-2-phenyl-4,5-dihydrooxazole-4-carboxylic acid
CID 46889284

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-4-propan-2-yl-4H-1,3-oxazol-5-one?
The IUPAC name of 2-(2-methylphenyl)-4-propan-2-yl-4H-1,3-oxazol-5-one (CID 101498715) is 2-(2-methylphenyl)-4-propan-2-yl-4H-1,3-oxazol-5-one.
What is the SMILES notation for 2-(2-methylphenyl)-4-propan-2-yl-4H-1,3-oxazol-5-one?
The canonical SMILES for 2-(2-methylphenyl)-4-propan-2-yl-4H-1,3-oxazol-5-one is Cc1ccccc1C1=NC(C(C)C)C(=O)O1.
What is the InChIKey of 2-(2-methylphenyl)-4-propan-2-yl-4H-1,3-oxazol-5-one?
The InChIKey is JCTSIAHVAHWVMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c1-8(2)11-13(15)16-12(14-11)10-7-5-4-6-9(10)3/h4-8,11H,1-3H3.
What are the key properties of 2-(2-methylphenyl)-4-propan-2-yl-4H-1,3-oxazol-5-one?
2-(2-methylphenyl)-4-propan-2-yl-4H-1,3-oxazol-5-one has a molecular weight of 217.27 g/mol, XLogP of 2.32, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)-4-propan-2-yl-4H-1,3-oxazol-5-one is sourced from PubChem (CID 101498715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).