5-methoxy-3-(1-phenylethyl)-1,3,4-oxadiazol-2-one

C11H12N2O3 — CID 13488172

IUPAC5-methoxy-3-(1-phenylethyl)-1,3,4-oxadiazol-2-one
SMILESCOc1nn(C(C)c2ccccc2)c(=O)o1
InChIInChI=1S/C11H12N2O3/c1-8(9-6-4-3-5-7-9)13-11(14)16-10(12-13)15-2/h3-8H,1-2H3
InChIKeyNMXLXWREEUTJIT-UHFFFAOYSA-N
MW220.23 g/mol
LogP1.45
Rot. Bonds3

About 5-methoxy-3-(1-phenylethyl)-1,3,4-oxadiazol-2-one

5-methoxy-3-(1-phenylethyl)-1,3,4-oxadiazol-2-one (PubChem CID 13488172) has the molecular formula C11H12N2O3 and a molecular weight of 220.23 g/mol. Its IUPAC name is 5-methoxy-3-(1-phenylethyl)-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name5-methoxy-3-(1-phenylethyl)-1,3,4-oxadiazol-2-one
PubChem CID13488172
Molecular FormulaC11H12N2O3
Molecular Weight220.23 g/mol
Exact Mass220.08
IUPAC Name5-methoxy-3-(1-phenylethyl)-1,3,4-oxadiazol-2-one
SMILESCOc1nn(C(C)c2ccccc2)c(=O)o1
InChIInChI=1S/C11H12N2O3/c1-8(9-6-4-3-5-7-9)13-11(14)16-10(12-13)15-2/h3-8H,1-2H3
InChIKeyNMXLXWREEUTJIT-UHFFFAOYSA-N
XLogP1.45
TPSA57.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-methoxy-3-(1-phenylethyl)-1,3,4-oxadiazol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-methoxy-3-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]-1,3,4-oxadiazol-2-one
CID 72710925
5-methoxy-3-[(1S)-1-(4-phenylphenyl)ethyl]-1,3,4-oxadiazol-2-one
CID 72710926
5-Methoxy-3-[[4-(2-methylpropyl)phenyl]methyl]-1,3,4-oxadiazol-2-one
CID 72710931
5-Methoxy-3-[(4-phenylphenyl)methyl]-1,3,4-oxadiazol-2-one
CID 72710932
5-methoxy-3-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]-1,3,4-oxadiazol-2-one
CID 72714187
5-Methoxy-3-[1-[4-(2-methylpropyl)phenyl]ethyl]-1,3,4-oxadiazol-2-one
CID 76317074
5-Methoxy-3-[1-(4-phenylphenyl)ethyl]-1,3,4-oxadiazol-2-one
CID 76335269
5-Methoxy-3-[[3-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-one
CID 122189217
1H-Pyrazole-1-carboxylic acid, 4,5-dihydro-5-phenyl-, ethyl ester
CID 3079077
Sodium 5-phenyl-4,5-dihydro-1H-pyrazole-1-carboxylate
CID 23690231
5-methoxy-3-[(1R)-1-(4-phenylphenyl)ethyl]-1,3,4-oxadiazol-2-one
CID 72710927
5-Methoxy-3-[1-(3-phenylphenyl)ethyl]-1,3,4-oxadiazol-2-one
CID 72714181

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3-(1-phenylethyl)-1,3,4-oxadiazol-2-one?
The IUPAC name of 5-methoxy-3-(1-phenylethyl)-1,3,4-oxadiazol-2-one (CID 13488172) is 5-methoxy-3-(1-phenylethyl)-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 5-methoxy-3-(1-phenylethyl)-1,3,4-oxadiazol-2-one?
The canonical SMILES for 5-methoxy-3-(1-phenylethyl)-1,3,4-oxadiazol-2-one is COc1nn(C(C)c2ccccc2)c(=O)o1.
What is the InChIKey of 5-methoxy-3-(1-phenylethyl)-1,3,4-oxadiazol-2-one?
The InChIKey is NMXLXWREEUTJIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3/c1-8(9-6-4-3-5-7-9)13-11(14)16-10(12-13)15-2/h3-8H,1-2H3.
What are the key properties of 5-methoxy-3-(1-phenylethyl)-1,3,4-oxadiazol-2-one?
5-methoxy-3-(1-phenylethyl)-1,3,4-oxadiazol-2-one has a molecular weight of 220.23 g/mol, XLogP of 1.45, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3-(1-phenylethyl)-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 13488172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).