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

C17H16N2O3 — CID 72710926

IUPAC5-methoxy-3-[(1S)-1-(4-phenylphenyl)ethyl]-1,3,4-oxadiazol-2-one
SMILESCOc1nn([C@@H](C)c2ccc(-c3ccccc3)cc2)c(=O)o1
InChIInChI=1S/C17H16N2O3/c1-12(19-17(20)22-16(18-19)21-2)13-8-10-15(11-9-13)14-6-4-3-5-7-14/h3-12H,1-2H3/t12-/m0/s1
InChIKeyFOBXOBRDWUCFFT-LBPRGKRZSA-N
MW296.33 g/mol
LogP3.12
Rot. Bonds4

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

5-methoxy-3-[(1S)-1-(4-phenylphenyl)ethyl]-1,3,4-oxadiazol-2-one (PubChem CID 72710926) has the molecular formula C17H16N2O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is 5-methoxy-3-[(1S)-1-(4-phenylphenyl)ethyl]-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name5-methoxy-3-[(1S)-1-(4-phenylphenyl)ethyl]-1,3,4-oxadiazol-2-one
PubChem CID72710926
Molecular FormulaC17H16N2O3
Molecular Weight296.33 g/mol
Exact Mass296.12
IUPAC Name5-methoxy-3-[(1S)-1-(4-phenylphenyl)ethyl]-1,3,4-oxadiazol-2-one
SMILESCOc1nn([C@@H](C)c2ccc(-c3ccccc3)cc2)c(=O)o1
InChIInChI=1S/C17H16N2O3/c1-12(19-17(20)22-16(18-19)21-2)13-8-10-15(11-9-13)14-6-4-3-5-7-14/h3-12H,1-2H3/t12-/m0/s1
InChIKeyFOBXOBRDWUCFFT-LBPRGKRZSA-N
XLogP3.12
TPSA57.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3-[(1S)-1-(4-phenylphenyl)ethyl]-1,3,4-oxadiazol-2-one?
The IUPAC name of 5-methoxy-3-[(1S)-1-(4-phenylphenyl)ethyl]-1,3,4-oxadiazol-2-one (CID 72710926) is 5-methoxy-3-[(1S)-1-(4-phenylphenyl)ethyl]-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 5-methoxy-3-[(1S)-1-(4-phenylphenyl)ethyl]-1,3,4-oxadiazol-2-one?
The canonical SMILES for 5-methoxy-3-[(1S)-1-(4-phenylphenyl)ethyl]-1,3,4-oxadiazol-2-one is COc1nn([C@@H](C)c2ccc(-c3ccccc3)cc2)c(=O)o1.
What is the InChIKey of 5-methoxy-3-[(1S)-1-(4-phenylphenyl)ethyl]-1,3,4-oxadiazol-2-one?
The InChIKey is FOBXOBRDWUCFFT-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H16N2O3/c1-12(19-17(20)22-16(18-19)21-2)13-8-10-15(11-9-13)14-6-4-3-5-7-14/h3-12H,1-2H3/t12-/m0/s1.
What are the key properties of 5-methoxy-3-[(1S)-1-(4-phenylphenyl)ethyl]-1,3,4-oxadiazol-2-one?
5-methoxy-3-[(1S)-1-(4-phenylphenyl)ethyl]-1,3,4-oxadiazol-2-one has a molecular weight of 296.33 g/mol, XLogP of 3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3-[(1S)-1-(4-phenylphenyl)ethyl]-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 72710926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).