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

C14H13N3OS — CID 177007640

IUPAC2-[(4-methylphenyl)methyl]-5-(4-methyl-1,3-thiazol-2-yl)-1,3,4-oxadiazole
SMILESCc1ccc(Cc2nnc(-c3nc(C)cs3)o2)cc1
InChIInChI=1S/C14H13N3OS/c1-9-3-5-11(6-4-9)7-12-16-17-13(18-12)14-15-10(2)8-19-14/h3-6,8H,7H2,1-2H3
InChIKeyCKQJXHCSLMLUFJ-UHFFFAOYSA-N
MW271.35 g/mol
LogP3.40
Rot. Bonds3

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

2-[(4-methylphenyl)methyl]-5-(4-methyl-1,3-thiazol-2-yl)-1,3,4-oxadiazole (PubChem CID 177007640) has the molecular formula C14H13N3OS and a molecular weight of 271.35 g/mol. Its IUPAC name is 2-[(4-methylphenyl)methyl]-5-(4-methyl-1,3-thiazol-2-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(4-methylphenyl)methyl]-5-(4-methyl-1,3-thiazol-2-yl)-1,3,4-oxadiazole
PubChem CID177007640
Molecular FormulaC14H13N3OS
Molecular Weight271.35 g/mol
Exact Mass271.08
IUPAC Name2-[(4-methylphenyl)methyl]-5-(4-methyl-1,3-thiazol-2-yl)-1,3,4-oxadiazole
SMILESCc1ccc(Cc2nnc(-c3nc(C)cs3)o2)cc1
InChIInChI=1S/C14H13N3OS/c1-9-3-5-11(6-4-9)7-12-16-17-13(18-12)14-15-10(2)8-19-14/h3-6,8H,7H2,1-2H3
InChIKeyCKQJXHCSLMLUFJ-UHFFFAOYSA-N
XLogP3.40
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylphenyl)methyl]-5-(4-methyl-1,3-thiazol-2-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-[(4-methylphenyl)methyl]-5-(4-methyl-1,3-thiazol-2-yl)-1,3,4-oxadiazole (CID 177007640) is 2-[(4-methylphenyl)methyl]-5-(4-methyl-1,3-thiazol-2-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(4-methylphenyl)methyl]-5-(4-methyl-1,3-thiazol-2-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[(4-methylphenyl)methyl]-5-(4-methyl-1,3-thiazol-2-yl)-1,3,4-oxadiazole is Cc1ccc(Cc2nnc(-c3nc(C)cs3)o2)cc1.
What is the InChIKey of 2-[(4-methylphenyl)methyl]-5-(4-methyl-1,3-thiazol-2-yl)-1,3,4-oxadiazole?
The InChIKey is CKQJXHCSLMLUFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3OS/c1-9-3-5-11(6-4-9)7-12-16-17-13(18-12)14-15-10(2)8-19-14/h3-6,8H,7H2,1-2H3.
What are the key properties of 2-[(4-methylphenyl)methyl]-5-(4-methyl-1,3-thiazol-2-yl)-1,3,4-oxadiazole?
2-[(4-methylphenyl)methyl]-5-(4-methyl-1,3-thiazol-2-yl)-1,3,4-oxadiazole has a molecular weight of 271.35 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylphenyl)methyl]-5-(4-methyl-1,3-thiazol-2-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 177007640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).