2-[(4-methoxyphenyl)methyl]-5-phenyl-1,3,4-oxadiazole

C16H14N2O2 — CID 13004922

IUPAC2-[(4-methoxyphenyl)methyl]-5-phenyl-1,3,4-oxadiazole
SMILESCOc1ccc(Cc2nnc(-c3ccccc3)o2)cc1
InChIInChI=1S/C16H14N2O2/c1-19-14-9-7-12(8-10-14)11-15-17-18-16(20-15)13-5-3-2-4-6-13/h2-10H,11H2,1H3
InChIKeyMQPHLXILLCISBY-UHFFFAOYSA-N
MW266.30 g/mol
LogP3.34
Rot. Bonds4

About 2-[(4-methoxyphenyl)methyl]-5-phenyl-1,3,4-oxadiazole

2-[(4-methoxyphenyl)methyl]-5-phenyl-1,3,4-oxadiazole (PubChem CID 13004922) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)methyl]-5-phenyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)methyl]-5-phenyl-1,3,4-oxadiazole
PubChem CID13004922
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name2-[(4-methoxyphenyl)methyl]-5-phenyl-1,3,4-oxadiazole
SMILESCOc1ccc(Cc2nnc(-c3ccccc3)o2)cc1
InChIInChI=1S/C16H14N2O2/c1-19-14-9-7-12(8-10-14)11-15-17-18-16(20-15)13-5-3-2-4-6-13/h2-10H,11H2,1H3
InChIKeyMQPHLXILLCISBY-UHFFFAOYSA-N
XLogP3.34
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)methyl]-5-phenyl-1,3,4-oxadiazole?
The IUPAC name of 2-[(4-methoxyphenyl)methyl]-5-phenyl-1,3,4-oxadiazole (CID 13004922) is 2-[(4-methoxyphenyl)methyl]-5-phenyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(4-methoxyphenyl)methyl]-5-phenyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[(4-methoxyphenyl)methyl]-5-phenyl-1,3,4-oxadiazole is COc1ccc(Cc2nnc(-c3ccccc3)o2)cc1.
What is the InChIKey of 2-[(4-methoxyphenyl)methyl]-5-phenyl-1,3,4-oxadiazole?
The InChIKey is MQPHLXILLCISBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c1-19-14-9-7-12(8-10-14)11-15-17-18-16(20-15)13-5-3-2-4-6-13/h2-10H,11H2,1H3.
What are the key properties of 2-[(4-methoxyphenyl)methyl]-5-phenyl-1,3,4-oxadiazole?
2-[(4-methoxyphenyl)methyl]-5-phenyl-1,3,4-oxadiazole has a molecular weight of 266.30 g/mol, XLogP of 3.34, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenyl)methyl]-5-phenyl-1,3,4-oxadiazole is sourced from PubChem (CID 13004922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).