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

C14H10F3N3OS — CID 139328650

IUPAC3-[4-[(2-methyl-1,3-thiazol-5-yl)methyl]phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole
SMILESCc1ncc(Cc2ccc(-c3noc(C(F)(F)F)n3)cc2)s1
InChIInChI=1S/C14H10F3N3OS/c1-8-18-7-11(22-8)6-9-2-4-10(5-3-9)12-19-13(21-20-12)14(15,16)17/h2-5,7H,6H2,1H3
InChIKeyHAUMKSJOJRQPEY-UHFFFAOYSA-N
MW325.32 g/mol
LogP4.11
Rot. Bonds3

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

3-[4-[(2-methyl-1,3-thiazol-5-yl)methyl]phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole (PubChem CID 139328650) has the molecular formula C14H10F3N3OS and a molecular weight of 325.32 g/mol. Its IUPAC name is 3-[4-[(2-methyl-1,3-thiazol-5-yl)methyl]phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[4-[(2-methyl-1,3-thiazol-5-yl)methyl]phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole
PubChem CID139328650
Molecular FormulaC14H10F3N3OS
Molecular Weight325.32 g/mol
Exact Mass325.05
IUPAC Name3-[4-[(2-methyl-1,3-thiazol-5-yl)methyl]phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole
SMILESCc1ncc(Cc2ccc(-c3noc(C(F)(F)F)n3)cc2)s1
InChIInChI=1S/C14H10F3N3OS/c1-8-18-7-11(22-8)6-9-2-4-10(5-3-9)12-19-13(21-20-12)14(15,16)17/h2-5,7H,6H2,1H3
InChIKeyHAUMKSJOJRQPEY-UHFFFAOYSA-N
XLogP4.11
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.32
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-Methyl-3-[4-[2-[4-(trifluoromethyl)pyridin-3-yl]-1,3-thiazol-4-yl]phenyl]-1,2,4-oxadiazole
CID 2746073
1-[(2-Fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-(5-methyl-1,3-thiazol-2-yl)urea
CID 71857416
3-(3-Fluoro-4-methylphenyl)-5-[2-(1,3-thiazol-2-yl)ethyl]-1,2,4-oxadiazole
CID 71876906
3-(2-Methoxyethyl)-5-(2-phenyl-1,3-thiazol-5-yl)-1,2,4-oxadiazole
CID 71931992
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-N-methyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethanamine
CID 72003238
2-[5-[2-(3,4-difluorophenyl)-1,3-thiazol-5-yl]-1,2,4-oxadiazol-3-yl]-N-methylacetamide
CID 75500240
3-(6-Phenylsulfanylpyridin-3-yl)-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 129079494
3-(5-Pyridin-3-ylthiophen-2-yl)-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 132258305
3-([1]Benzothiepino[2,3-b]pyridin-9-yl)-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 132258369
6-Phenyl-1-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-1,3-thiazol-2-yl]piperidin-2-one
CID 132258998
5-Phenyl-1-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-1,3-thiazol-2-yl]pyrrolidin-2-one
CID 132259921
3-(6-Benzylsulfanylpyridin-3-yl)-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 135370336

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(2-methyl-1,3-thiazol-5-yl)methyl]phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole?
The IUPAC name of 3-[4-[(2-methyl-1,3-thiazol-5-yl)methyl]phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole (CID 139328650) is 3-[4-[(2-methyl-1,3-thiazol-5-yl)methyl]phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-[4-[(2-methyl-1,3-thiazol-5-yl)methyl]phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-[4-[(2-methyl-1,3-thiazol-5-yl)methyl]phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole is Cc1ncc(Cc2ccc(-c3noc(C(F)(F)F)n3)cc2)s1.
What is the InChIKey of 3-[4-[(2-methyl-1,3-thiazol-5-yl)methyl]phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole?
The InChIKey is HAUMKSJOJRQPEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3N3OS/c1-8-18-7-11(22-8)6-9-2-4-10(5-3-9)12-19-13(21-20-12)14(15,16)17/h2-5,7H,6H2,1H3.
What are the key properties of 3-[4-[(2-methyl-1,3-thiazol-5-yl)methyl]phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole?
3-[4-[(2-methyl-1,3-thiazol-5-yl)methyl]phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole has a molecular weight of 325.32 g/mol, XLogP of 4.11, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(2-methyl-1,3-thiazol-5-yl)methyl]phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 139328650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).