5-(4-methoxyphenyl)-3-(2-methylphenyl)-1,2,4-oxadiazole

C16H14N2O2 — CID 5152913

IUPAC5-(4-methoxyphenyl)-3-(2-methylphenyl)-1,2,4-oxadiazole
SMILESCOc1ccc(-c2nc(-c3ccccc3C)no2)cc1
InChIInChI=1S/C16H14N2O2/c1-11-5-3-4-6-14(11)15-17-16(20-18-15)12-7-9-13(19-2)10-8-12/h3-10H,1-2H3
InChIKeyNRYUAIFNRQXJMH-UHFFFAOYSA-N
MW266.30 g/mol
LogP3.72
Rot. Bonds3

About 5-(4-methoxyphenyl)-3-(2-methylphenyl)-1,2,4-oxadiazole

5-(4-methoxyphenyl)-3-(2-methylphenyl)-1,2,4-oxadiazole (PubChem CID 5152913) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-3-(2-methylphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-3-(2-methylphenyl)-1,2,4-oxadiazole
PubChem CID5152913
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name5-(4-methoxyphenyl)-3-(2-methylphenyl)-1,2,4-oxadiazole
SMILESCOc1ccc(-c2nc(-c3ccccc3C)no2)cc1
InChIInChI=1S/C16H14N2O2/c1-11-5-3-4-6-14(11)15-17-16(20-18-15)12-7-9-13(19-2)10-8-12/h3-10H,1-2H3
InChIKeyNRYUAIFNRQXJMH-UHFFFAOYSA-N
XLogP3.72
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 798302
3-[2-methoxy-6-(4-methoxyphenyl)-3-pyridinyl]-5-(2-methylphenyl)-1,2,4-oxadiazole
CID 664499
5-(2-bromophenyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 752271
5-[(4-methoxyphenoxy)methyl]-3-(2-methylphenyl)-1,2,4-oxadiazole
CID 926660
5-[3-methoxy-4-(2-methylphenyl)phenyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole
CID 25256566
3-(2,6-difluorophenyl)-5-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 3620161
5-(4-fluorophenyl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole
CID 102429088
3-[2-methoxy-6-(4-methoxyphenyl)-3-pyridinyl]-5-phenyl-1,2,4-oxadiazole
CID 664083
7-methoxy-3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]chromen-2-one
CID 20904219
6-methoxy-3-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]-1H-quinolin-2-one
CID 939351
3-(4-methoxyphenyl)-5-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]triazol-4-amine
CID 20904477
5-(2-methylphenyl)-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 867102

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-3-(2-methylphenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(4-methoxyphenyl)-3-(2-methylphenyl)-1,2,4-oxadiazole (CID 5152913) is 5-(4-methoxyphenyl)-3-(2-methylphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(4-methoxyphenyl)-3-(2-methylphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(4-methoxyphenyl)-3-(2-methylphenyl)-1,2,4-oxadiazole is COc1ccc(-c2nc(-c3ccccc3C)no2)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-3-(2-methylphenyl)-1,2,4-oxadiazole?
The InChIKey is NRYUAIFNRQXJMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c1-11-5-3-4-6-14(11)15-17-16(20-18-15)12-7-9-13(19-2)10-8-12/h3-10H,1-2H3.
What are the key properties of 5-(4-methoxyphenyl)-3-(2-methylphenyl)-1,2,4-oxadiazole?
5-(4-methoxyphenyl)-3-(2-methylphenyl)-1,2,4-oxadiazole has a molecular weight of 266.30 g/mol, XLogP of 3.72, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-3-(2-methylphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 5152913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).