5-methoxy-3-[(4-phenylphenyl)methyl]-1,3,4-oxadiazol-2-one

C16H14N2O3 — CID 72710932

IUPAC5-methoxy-3-[(4-phenylphenyl)methyl]-1,3,4-oxadiazol-2-one
SMILESCOc1nn(Cc2ccc(-c3ccccc3)cc2)c(=O)o1
InChIInChI=1S/C16H14N2O3/c1-20-15-17-18(16(19)21-15)11-12-7-9-14(10-8-12)13-5-3-2-4-6-13/h2-10H,11H2,1H3
InChIKeyPZHGVPUUVVWCLI-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.56
Rot. Bonds4

About 5-methoxy-3-[(4-phenylphenyl)methyl]-1,3,4-oxadiazol-2-one

5-methoxy-3-[(4-phenylphenyl)methyl]-1,3,4-oxadiazol-2-one (PubChem CID 72710932) has the molecular formula C16H14N2O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is 5-methoxy-3-[(4-phenylphenyl)methyl]-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name5-methoxy-3-[(4-phenylphenyl)methyl]-1,3,4-oxadiazol-2-one
PubChem CID72710932
Molecular FormulaC16H14N2O3
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC Name5-methoxy-3-[(4-phenylphenyl)methyl]-1,3,4-oxadiazol-2-one
SMILESCOc1nn(Cc2ccc(-c3ccccc3)cc2)c(=O)o1
InChIInChI=1S/C16H14N2O3/c1-20-15-17-18(16(19)21-15)11-12-7-9-14(10-8-12)13-5-3-2-4-6-13/h2-10H,11H2,1H3
InChIKeyPZHGVPUUVVWCLI-UHFFFAOYSA-N
XLogP2.56
TPSA57.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3-[(4-phenylphenyl)methyl]-1,3,4-oxadiazol-2-one?
The IUPAC name of 5-methoxy-3-[(4-phenylphenyl)methyl]-1,3,4-oxadiazol-2-one (CID 72710932) is 5-methoxy-3-[(4-phenylphenyl)methyl]-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 5-methoxy-3-[(4-phenylphenyl)methyl]-1,3,4-oxadiazol-2-one?
The canonical SMILES for 5-methoxy-3-[(4-phenylphenyl)methyl]-1,3,4-oxadiazol-2-one is COc1nn(Cc2ccc(-c3ccccc3)cc2)c(=O)o1.
What is the InChIKey of 5-methoxy-3-[(4-phenylphenyl)methyl]-1,3,4-oxadiazol-2-one?
The InChIKey is PZHGVPUUVVWCLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3/c1-20-15-17-18(16(19)21-15)11-12-7-9-14(10-8-12)13-5-3-2-4-6-13/h2-10H,11H2,1H3.
What are the key properties of 5-methoxy-3-[(4-phenylphenyl)methyl]-1,3,4-oxadiazol-2-one?
5-methoxy-3-[(4-phenylphenyl)methyl]-1,3,4-oxadiazol-2-one has a molecular weight of 282.30 g/mol, XLogP of 2.56, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3-[(4-phenylphenyl)methyl]-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 72710932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).