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

C15H12N2O4 — CID 18184754

IUPAC5-methoxy-3-(4-phenoxyphenyl)-1,3,4-oxadiazol-2-one
SMILESCOc1nn(-c2ccc(Oc3ccccc3)cc2)c(=O)o1
InChIInChI=1S/C15H12N2O4/c1-19-14-16-17(15(18)21-14)11-7-9-13(10-8-11)20-12-5-3-2-4-6-12/h2-10H,1H3
InChIKeyYAKCIFSNRAIAJM-UHFFFAOYSA-N
MW284.27 g/mol
LogP2.63
Rot. Bonds4

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

5-methoxy-3-(4-phenoxyphenyl)-1,3,4-oxadiazol-2-one (PubChem CID 18184754) has the molecular formula C15H12N2O4 and a molecular weight of 284.27 g/mol. Its IUPAC name is 5-methoxy-3-(4-phenoxyphenyl)-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name5-methoxy-3-(4-phenoxyphenyl)-1,3,4-oxadiazol-2-one
PubChem CID18184754
Molecular FormulaC15H12N2O4
Molecular Weight284.27 g/mol
Exact Mass284.08
IUPAC Name5-methoxy-3-(4-phenoxyphenyl)-1,3,4-oxadiazol-2-one
SMILESCOc1nn(-c2ccc(Oc3ccccc3)cc2)c(=O)o1
InChIInChI=1S/C15H12N2O4/c1-19-14-16-17(15(18)21-14)11-7-9-13(10-8-11)20-12-5-3-2-4-6-12/h2-10H,1H3
InChIKeyYAKCIFSNRAIAJM-UHFFFAOYSA-N
XLogP2.63
TPSA66.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.27
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3-(4-phenoxyphenyl)-1,3,4-oxadiazol-2-one?
The IUPAC name of 5-methoxy-3-(4-phenoxyphenyl)-1,3,4-oxadiazol-2-one (CID 18184754) is 5-methoxy-3-(4-phenoxyphenyl)-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 5-methoxy-3-(4-phenoxyphenyl)-1,3,4-oxadiazol-2-one?
The canonical SMILES for 5-methoxy-3-(4-phenoxyphenyl)-1,3,4-oxadiazol-2-one is COc1nn(-c2ccc(Oc3ccccc3)cc2)c(=O)o1.
What is the InChIKey of 5-methoxy-3-(4-phenoxyphenyl)-1,3,4-oxadiazol-2-one?
The InChIKey is YAKCIFSNRAIAJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O4/c1-19-14-16-17(15(18)21-14)11-7-9-13(10-8-11)20-12-5-3-2-4-6-12/h2-10H,1H3.
What are the key properties of 5-methoxy-3-(4-phenoxyphenyl)-1,3,4-oxadiazol-2-one?
5-methoxy-3-(4-phenoxyphenyl)-1,3,4-oxadiazol-2-one has a molecular weight of 284.27 g/mol, XLogP of 2.63, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3-(4-phenoxyphenyl)-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 18184754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).