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

C17H16N2O2 — CID 4691489

IUPAC3-[(4-methoxyphenyl)methyl]-5-(3-methylphenyl)-1,2,4-oxadiazole
SMILESCOc1ccc(Cc2noc(-c3cccc(C)c3)n2)cc1
InChIInChI=1S/C17H16N2O2/c1-12-4-3-5-14(10-12)17-18-16(19-21-17)11-13-6-8-15(20-2)9-7-13/h3-10H,11H2,1-2H3
InChIKeyBILROFHOWVOZBY-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.64
Rot. Bonds4

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

3-[(4-methoxyphenyl)methyl]-5-(3-methylphenyl)-1,2,4-oxadiazole (PubChem CID 4691489) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 3-[(4-methoxyphenyl)methyl]-5-(3-methylphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[(4-methoxyphenyl)methyl]-5-(3-methylphenyl)-1,2,4-oxadiazole
PubChem CID4691489
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name3-[(4-methoxyphenyl)methyl]-5-(3-methylphenyl)-1,2,4-oxadiazole
SMILESCOc1ccc(Cc2noc(-c3cccc(C)c3)n2)cc1
InChIInChI=1S/C17H16N2O2/c1-12-4-3-5-14(10-12)17-18-16(19-21-17)11-13-6-8-15(20-2)9-7-13/h3-10H,11H2,1-2H3
InChIKeyBILROFHOWVOZBY-UHFFFAOYSA-N
XLogP3.64
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-methoxyphenyl)methylsulfanyl]-5-(3-methylphenyl)-1,2,4-oxadiazole
CID 39855567
4-[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]aniline
CID 61375130
N-methyl-3-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 115079264
2-(4-methoxyphenyl)-5-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]-1,3,4-oxadiazole
CID 46435511
4-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methoxy]aniline
CID 61035214
3-[(4-methoxyphenyl)methyl]-5-methyl-1,2,4-oxadiazole
CID 12762723
5-(4-methoxyphenyl)-3-[[(R)-(3-methylphenyl)sulfinyl]methyl]-1,2,4-oxadiazole
CID 97007197
2,4-dimethoxy-N-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]benzamide
CID 50755960
5-(2-bromo-5-methoxyphenyl)-3-(3-methylphenyl)-1,2,4-oxadiazole
CID 2742649
2-methyl-5-[3-[(3-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]phenol
CID 63844920
4-[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-1H-pyrrole-2-carbonitrile
CID 136782440
2-methyl-4-[3-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]phenol
CID 136751064

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methoxyphenyl)methyl]-5-(3-methylphenyl)-1,2,4-oxadiazole?
The IUPAC name of 3-[(4-methoxyphenyl)methyl]-5-(3-methylphenyl)-1,2,4-oxadiazole (CID 4691489) is 3-[(4-methoxyphenyl)methyl]-5-(3-methylphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-[(4-methoxyphenyl)methyl]-5-(3-methylphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-[(4-methoxyphenyl)methyl]-5-(3-methylphenyl)-1,2,4-oxadiazole is COc1ccc(Cc2noc(-c3cccc(C)c3)n2)cc1.
What is the InChIKey of 3-[(4-methoxyphenyl)methyl]-5-(3-methylphenyl)-1,2,4-oxadiazole?
The InChIKey is BILROFHOWVOZBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-12-4-3-5-14(10-12)17-18-16(19-21-17)11-13-6-8-15(20-2)9-7-13/h3-10H,11H2,1-2H3.
What are the key properties of 3-[(4-methoxyphenyl)methyl]-5-(3-methylphenyl)-1,2,4-oxadiazole?
3-[(4-methoxyphenyl)methyl]-5-(3-methylphenyl)-1,2,4-oxadiazole has a molecular weight of 280.33 g/mol, XLogP of 3.64, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methoxyphenyl)methyl]-5-(3-methylphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 4691489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).