5-(2-methylphenyl)-3-(1-phenylethyl)-1,3-oxazol-2-one

C18H17NO2 — CID 102264527

IUPAC5-(2-methylphenyl)-3-(1-phenylethyl)-1,3-oxazol-2-one
SMILESCc1ccccc1-c1cn(C(C)c2ccccc2)c(=O)o1
InChIInChI=1S/C18H17NO2/c1-13-8-6-7-11-16(13)17-12-19(18(20)21-17)14(2)15-9-4-3-5-10-15/h3-12,14H,1-2H3
InChIKeyBCUMPHVMDZYTMC-UHFFFAOYSA-N
MW279.34 g/mol
LogP4.03
Rot. Bonds3

About 5-(2-methylphenyl)-3-(1-phenylethyl)-1,3-oxazol-2-one

5-(2-methylphenyl)-3-(1-phenylethyl)-1,3-oxazol-2-one (PubChem CID 102264527) has the molecular formula C18H17NO2 and a molecular weight of 279.34 g/mol. Its IUPAC name is 5-(2-methylphenyl)-3-(1-phenylethyl)-1,3-oxazol-2-one.

Molecular Properties

Compound Name5-(2-methylphenyl)-3-(1-phenylethyl)-1,3-oxazol-2-one
PubChem CID102264527
Molecular FormulaC18H17NO2
Molecular Weight279.34 g/mol
Exact Mass279.13
IUPAC Name5-(2-methylphenyl)-3-(1-phenylethyl)-1,3-oxazol-2-one
SMILESCc1ccccc1-c1cn(C(C)c2ccccc2)c(=O)o1
InChIInChI=1S/C18H17NO2/c1-13-8-6-7-11-16(13)17-12-19(18(20)21-17)14(2)15-9-4-3-5-10-15/h3-12,14H,1-2H3
InChIKeyBCUMPHVMDZYTMC-UHFFFAOYSA-N
XLogP4.03
TPSA35.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-methoxy-3-[(1S)-1-phenylethyl]-1,3-oxazol-2-one
CID 139818724
5-ethoxy-3-(1-phenylethyl)-1,3-oxazol-2-one
CID 22728492
4-methyl-2-[(1S)-1-phenylethyl]isoquinolin-1-one
CID 102208891
2-[(1S)-1-phenylethyl]isoindole-1,3-dione
CID 792943
2,3-dimethyl-5-(2-methylphenyl)furan
CID 172731165
3-phenyl-4-(1-phenylethyl)-1,2,4-triazole
CID 141287067
2-(2-methylphenyl)chromen-4-one
CID 776385
4-methyl-3-(2-methylphenyl)-1-propan-2-ylpyrazole
CID 142566344
2-methyl-4-(2-methylphenyl)isoquinolin-1-one
CID 10377377
4-methyl-2-oxo-1-(1-phenylethyl)pyridine-3-carbonitrile
CID 82117080
3,4-dimethyl-1-(1-phenylethyl)pyrazole;ethane
CID 145058285
5-methyl-3-(1-phenylethyl)-1H-imidazole-2-thione
CID 81335015

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylphenyl)-3-(1-phenylethyl)-1,3-oxazol-2-one?
The IUPAC name of 5-(2-methylphenyl)-3-(1-phenylethyl)-1,3-oxazol-2-one (CID 102264527) is 5-(2-methylphenyl)-3-(1-phenylethyl)-1,3-oxazol-2-one.
What is the SMILES notation for 5-(2-methylphenyl)-3-(1-phenylethyl)-1,3-oxazol-2-one?
The canonical SMILES for 5-(2-methylphenyl)-3-(1-phenylethyl)-1,3-oxazol-2-one is Cc1ccccc1-c1cn(C(C)c2ccccc2)c(=O)o1.
What is the InChIKey of 5-(2-methylphenyl)-3-(1-phenylethyl)-1,3-oxazol-2-one?
The InChIKey is BCUMPHVMDZYTMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO2/c1-13-8-6-7-11-16(13)17-12-19(18(20)21-17)14(2)15-9-4-3-5-10-15/h3-12,14H,1-2H3.
What are the key properties of 5-(2-methylphenyl)-3-(1-phenylethyl)-1,3-oxazol-2-one?
5-(2-methylphenyl)-3-(1-phenylethyl)-1,3-oxazol-2-one has a molecular weight of 279.34 g/mol, XLogP of 4.03, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylphenyl)-3-(1-phenylethyl)-1,3-oxazol-2-one is sourced from PubChem (CID 102264527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).