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

C17H14N2O — CID 3703705

IUPAC2-(3-methylphenyl)-5-(2-phenylethenyl)-1,3,4-oxadiazole
SMILESCc1cccc(-c2nnc(C=Cc3ccccc3)o2)c1
InChIInChI=1S/C17H14N2O/c1-13-6-5-9-15(12-13)17-19-18-16(20-17)11-10-14-7-3-2-4-8-14/h2-12H,1H3
InChIKeyAMERMDSKVHITHY-UHFFFAOYSA-N
MW262.31 g/mol
LogP4.22
Rot. Bonds3

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

2-(3-methylphenyl)-5-(2-phenylethenyl)-1,3,4-oxadiazole (PubChem CID 3703705) has the molecular formula C17H14N2O and a molecular weight of 262.31 g/mol. Its IUPAC name is 2-(3-methylphenyl)-5-(2-phenylethenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(3-methylphenyl)-5-(2-phenylethenyl)-1,3,4-oxadiazole
PubChem CID3703705
Molecular FormulaC17H14N2O
Molecular Weight262.31 g/mol
Exact Mass262.11
IUPAC Name2-(3-methylphenyl)-5-(2-phenylethenyl)-1,3,4-oxadiazole
SMILESCc1cccc(-c2nnc(C=Cc3ccccc3)o2)c1
InChIInChI=1S/C17H14N2O/c1-13-6-5-9-15(12-13)17-19-18-16(20-17)11-10-14-7-3-2-4-8-14/h2-12H,1H3
InChIKeyAMERMDSKVHITHY-UHFFFAOYSA-N
XLogP4.22
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methylphenyl)-5-(2-phenylethenyl)-1,3,4-oxadiazole
CID 3170416
2-(4-tert-butylphenyl)-5-(2-phenylethenyl)-1,3,4-oxadiazole
CID 74660783
2-[2-[4-(5,6-dimethoxybenzotriazol-2-yl)phenyl]ethenyl]-5-phenyl-1,3,4-oxadiazole
CID 170847921
(E)-3-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]prop-2-enoic acid
CID 80503596
2-(3-methylphenyl)-5-pyridin-4-yl-1,3,4-oxadiazole
CID 872987
ethane;2-methyl-5-[3-(3-methylphenyl)phenyl]-1,3,4-oxadiazole
CID 166546394
2-methyl-5-[4-(2-phenylethenyl)phenyl]-1,3,4-oxadiazole
CID 59957450
2-[(1S)-1-chloroethyl]-5-(3-methylphenyl)-1,3,4-oxadiazole
CID 7129414
5-(3-methylphenyl)-1,3,4-oxadiazole-2-carboxylic acid
CID 39240671
2-(dichloromethyl)-5-(3-methylphenyl)-1,3,4-oxadiazole
CID 43913057
2-[2-(3-methylphenyl)ethenyl]-5-phenyl-1,3-benzoxazole
CID 3914706
2-(3-methylphenyl)-5-[4-[tris[4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]phenyl]-1,3,4-oxadiazole
CID 153436703

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)-5-(2-phenylethenyl)-1,3,4-oxadiazole?
The IUPAC name of 2-(3-methylphenyl)-5-(2-phenylethenyl)-1,3,4-oxadiazole (CID 3703705) is 2-(3-methylphenyl)-5-(2-phenylethenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(3-methylphenyl)-5-(2-phenylethenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(3-methylphenyl)-5-(2-phenylethenyl)-1,3,4-oxadiazole is Cc1cccc(-c2nnc(C=Cc3ccccc3)o2)c1.
What is the InChIKey of 2-(3-methylphenyl)-5-(2-phenylethenyl)-1,3,4-oxadiazole?
The InChIKey is AMERMDSKVHITHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O/c1-13-6-5-9-15(12-13)17-19-18-16(20-17)11-10-14-7-3-2-4-8-14/h2-12H,1H3.
What are the key properties of 2-(3-methylphenyl)-5-(2-phenylethenyl)-1,3,4-oxadiazole?
2-(3-methylphenyl)-5-(2-phenylethenyl)-1,3,4-oxadiazole has a molecular weight of 262.31 g/mol, XLogP of 4.22, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenyl)-5-(2-phenylethenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 3703705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).