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

C20H16N2O — CID 142315891

IUPAC2-[(4-methylphenyl)methyl]-5-naphthalen-2-yl-1,3,4-oxadiazole
SMILESCc1ccc(Cc2nnc(-c3ccc4ccccc4c3)o2)cc1
InChIInChI=1S/C20H16N2O/c1-14-6-8-15(9-7-14)12-19-21-22-20(23-19)18-11-10-16-4-2-3-5-17(16)13-18/h2-11,13H,12H2,1H3
InChIKeyKWHINCSNYLMVCU-UHFFFAOYSA-N
MW300.36 g/mol
LogP4.79
Rot. Bonds3

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

2-[(4-methylphenyl)methyl]-5-naphthalen-2-yl-1,3,4-oxadiazole (PubChem CID 142315891) has the molecular formula C20H16N2O and a molecular weight of 300.36 g/mol. Its IUPAC name is 2-[(4-methylphenyl)methyl]-5-naphthalen-2-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(4-methylphenyl)methyl]-5-naphthalen-2-yl-1,3,4-oxadiazole
PubChem CID142315891
Molecular FormulaC20H16N2O
Molecular Weight300.36 g/mol
Exact Mass300.13
IUPAC Name2-[(4-methylphenyl)methyl]-5-naphthalen-2-yl-1,3,4-oxadiazole
SMILESCc1ccc(Cc2nnc(-c3ccc4ccccc4c3)o2)cc1
InChIInChI=1S/C20H16N2O/c1-14-6-8-15(9-7-14)12-19-21-22-20(23-19)18-11-10-16-4-2-3-5-17(16)13-18/h2-11,13H,12H2,1H3
InChIKeyKWHINCSNYLMVCU-UHFFFAOYSA-N
XLogP4.79
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)ethanamine
CID 62071982
2-[4-(bromomethyl)phenyl]-5-naphthalen-2-yl-1,3,4-oxadiazole
CID 141345170
1-[5-(naphthalen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 55035099
4-[5-(naphthalen-2-ylmethylsulfinylmethyl)-1,3,4-oxadiazol-2-yl]phenol
CID 142831227
2-bromo-5-naphthalen-2-yl-1,3,4-oxadiazole
CID 114771088
N-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-2-naphthalen-2-ylacetamide
CID 16854678
1-(4-methylphenyl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]methanamine
CID 18870633
2-[4-(difluoromethoxy)-3-methoxyphenyl]-5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazole
CID 19550804
2-(1-bromopropyl)-5-naphthalen-2-yl-1,3,4-oxadiazole
CID 62856201
4-[5-(naphthalen-2-ylmethylsulfonylmethyl)-1,3,4-oxadiazol-2-yl]phenol
CID 135971504
2-[3-[(2-bromophenoxy)methyl]phenyl]-5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazole
CID 19542623
2-(3-methylphenyl)-5-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1,3,4-oxadiazole
CID 53153559

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylphenyl)methyl]-5-naphthalen-2-yl-1,3,4-oxadiazole?
The IUPAC name of 2-[(4-methylphenyl)methyl]-5-naphthalen-2-yl-1,3,4-oxadiazole (CID 142315891) is 2-[(4-methylphenyl)methyl]-5-naphthalen-2-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(4-methylphenyl)methyl]-5-naphthalen-2-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-[(4-methylphenyl)methyl]-5-naphthalen-2-yl-1,3,4-oxadiazole is Cc1ccc(Cc2nnc(-c3ccc4ccccc4c3)o2)cc1.
What is the InChIKey of 2-[(4-methylphenyl)methyl]-5-naphthalen-2-yl-1,3,4-oxadiazole?
The InChIKey is KWHINCSNYLMVCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O/c1-14-6-8-15(9-7-14)12-19-21-22-20(23-19)18-11-10-16-4-2-3-5-17(16)13-18/h2-11,13H,12H2,1H3.
What are the key properties of 2-[(4-methylphenyl)methyl]-5-naphthalen-2-yl-1,3,4-oxadiazole?
2-[(4-methylphenyl)methyl]-5-naphthalen-2-yl-1,3,4-oxadiazole has a molecular weight of 300.36 g/mol, XLogP of 4.79, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylphenyl)methyl]-5-naphthalen-2-yl-1,3,4-oxadiazole is sourced from PubChem (CID 142315891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).