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

C23H20N2O2 — CID 70791079

IUPAC2-methyl-5-[[3-(3-phenylmethoxyphenyl)phenyl]methyl]-1,3,4-oxadiazole
SMILESCc1nnc(Cc2cccc(-c3cccc(OCc4ccccc4)c3)c2)o1
InChIInChI=1S/C23H20N2O2/c1-17-24-25-23(27-17)14-19-9-5-10-20(13-19)21-11-6-12-22(15-21)26-16-18-7-3-2-4-8-18/h2-13,15H,14,16H2,1H3
InChIKeyOTEHPDRBFZNHQJ-UHFFFAOYSA-N
MW356.43 g/mol
LogP5.21
Rot. Bonds6

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

2-methyl-5-[[3-(3-phenylmethoxyphenyl)phenyl]methyl]-1,3,4-oxadiazole (PubChem CID 70791079) has the molecular formula C23H20N2O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is 2-methyl-5-[[3-(3-phenylmethoxyphenyl)phenyl]methyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-methyl-5-[[3-(3-phenylmethoxyphenyl)phenyl]methyl]-1,3,4-oxadiazole
PubChem CID70791079
Molecular FormulaC23H20N2O2
Molecular Weight356.43 g/mol
Exact Mass356.15
IUPAC Name2-methyl-5-[[3-(3-phenylmethoxyphenyl)phenyl]methyl]-1,3,4-oxadiazole
SMILESCc1nnc(Cc2cccc(-c3cccc(OCc4ccccc4)c3)c2)o1
InChIInChI=1S/C23H20N2O2/c1-17-24-25-23(27-17)14-19-9-5-10-20(13-19)21-11-6-12-22(15-21)26-16-18-7-3-2-4-8-18/h2-13,15H,14,16H2,1H3
InChIKeyOTEHPDRBFZNHQJ-UHFFFAOYSA-N
XLogP5.21
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.43
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-5-(3-phenylmethoxyphenyl)phenol
CID 53219180
7-[3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]phenyl]-3,4-dihydro-1H-quinazolin-2-one
CID 139015050
1-ethynyl-3-methyl-5-(3-phenylmethoxyphenyl)benzene
CID 167311917
2,2-dimethyl-5-[3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]phenyl]-1-benzofuran-3-one
CID 166275077
[3-ethyl-5-(3-phenylmethoxyphenyl)phenyl]methanol
CID 122435033
1-methyl-5-(3-phenylmethoxyphenyl)pyrazole
CID 175709836
4-methyl-5-(3-phenylmethoxyphenyl)pyridin-3-amine
CID 178203209
3-[3-(3-phenylmethoxyphenyl)phenyl]propanoic acid
CID 58239597
2-[4-[(3-methoxyphenoxy)methyl]phenyl]-5-phenyl-1,3,4-oxadiazole
CID 19542172
1-[3-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanone
CID 28782376
5-(4-methylphenyl)-3-(3-phenylmethoxyphenyl)-1,2,4-oxadiazole
CID 42851376
ethyl (2R)-2-amino-3-[3-(3-phenylmethoxyphenyl)phenyl]propanoate
CID 154815416

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[[3-(3-phenylmethoxyphenyl)phenyl]methyl]-1,3,4-oxadiazole?
The IUPAC name of 2-methyl-5-[[3-(3-phenylmethoxyphenyl)phenyl]methyl]-1,3,4-oxadiazole (CID 70791079) is 2-methyl-5-[[3-(3-phenylmethoxyphenyl)phenyl]methyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-methyl-5-[[3-(3-phenylmethoxyphenyl)phenyl]methyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-methyl-5-[[3-(3-phenylmethoxyphenyl)phenyl]methyl]-1,3,4-oxadiazole is Cc1nnc(Cc2cccc(-c3cccc(OCc4ccccc4)c3)c2)o1.
What is the InChIKey of 2-methyl-5-[[3-(3-phenylmethoxyphenyl)phenyl]methyl]-1,3,4-oxadiazole?
The InChIKey is OTEHPDRBFZNHQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O2/c1-17-24-25-23(27-17)14-19-9-5-10-20(13-19)21-11-6-12-22(15-21)26-16-18-7-3-2-4-8-18/h2-13,15H,14,16H2,1H3.
What are the key properties of 2-methyl-5-[[3-(3-phenylmethoxyphenyl)phenyl]methyl]-1,3,4-oxadiazole?
2-methyl-5-[[3-(3-phenylmethoxyphenyl)phenyl]methyl]-1,3,4-oxadiazole has a molecular weight of 356.43 g/mol, XLogP of 5.21, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[[3-(3-phenylmethoxyphenyl)phenyl]methyl]-1,3,4-oxadiazole is sourced from PubChem (CID 70791079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).