3-[1-[(3-fluorophenyl)methyl]triazol-4-yl]-5-thiophen-2-yl-1,2,4-oxadiazole

C15H10FN5OS — CID 53170046

IUPAC3-[1-[(3-fluorophenyl)methyl]triazol-4-yl]-5-thiophen-2-yl-1,2,4-oxadiazole
SMILESFc1cccc(Cn2cc(-c3noc(-c4cccs4)n3)nn2)c1
InChIInChI=1S/C15H10FN5OS/c16-11-4-1-3-10(7-11)8-21-9-12(18-20-21)14-17-15(22-19-14)13-5-2-6-23-13/h1-7,9H,8H2
InChIKeyJOPRJTYUQSSVAE-UHFFFAOYSA-N
MW327.34 g/mol
LogP3.24
Rot. Bonds4

About 3-[1-[(3-fluorophenyl)methyl]triazol-4-yl]-5-thiophen-2-yl-1,2,4-oxadiazole

3-[1-[(3-fluorophenyl)methyl]triazol-4-yl]-5-thiophen-2-yl-1,2,4-oxadiazole (PubChem CID 53170046) has the molecular formula C15H10FN5OS and a molecular weight of 327.34 g/mol. Its IUPAC name is 3-[1-[(3-fluorophenyl)methyl]triazol-4-yl]-5-thiophen-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[1-[(3-fluorophenyl)methyl]triazol-4-yl]-5-thiophen-2-yl-1,2,4-oxadiazole
PubChem CID53170046
Molecular FormulaC15H10FN5OS
Molecular Weight327.34 g/mol
Exact Mass327.06
IUPAC Name3-[1-[(3-fluorophenyl)methyl]triazol-4-yl]-5-thiophen-2-yl-1,2,4-oxadiazole
SMILESFc1cccc(Cn2cc(-c3noc(-c4cccs4)n3)nn2)c1
InChIInChI=1S/C15H10FN5OS/c16-11-4-1-3-10(7-11)8-21-9-12(18-20-21)14-17-15(22-19-14)13-5-2-6-23-13/h1-7,9H,8H2
InChIKeyJOPRJTYUQSSVAE-UHFFFAOYSA-N
XLogP3.24
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-(3-fluorophenyl)-3-[1-[(3-fluorophenyl)methyl]triazol-4-yl]-1,2,4-oxadiazole
CID 53170049
1-benzyl-4-thiophen-2-yltriazole
CID 11715687
1-[(3-fluorophenyl)methyl]-3-thiophen-2-ylpyrazole-4-carboxylic acid
CID 63278513
(4S)-1-[(3-fluorophenyl)methyl]-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one
CID 95186482
N-[2-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)triazol-1-yl]ethyl]furan-2-carboxamide
CID 119099368
2-[1-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]ethanol
CID 55067381
2-[1-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]propan-2-amine
CID 63999534
4-[3-(1-benzyltriazol-4-yl)-1,2,4-oxadiazol-5-yl]-1H-quinolin-2-one
CID 166253991
3-fluoro-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]benzamide
CID 51097703
5-[3-[(2,4-difluorophenoxy)methyl]phenyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 19334502
1-[(4-tert-butylphenyl)methyl]-4-thiophen-2-yltriazole
CID 162664075
(2R,6R)-2-[5-[1-[(3-fluorophenyl)methyl]triazol-4-yl]-1,3,4-oxadiazol-2-yl]-4,6-dimethylmorpholine
CID 154761953

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(3-fluorophenyl)methyl]triazol-4-yl]-5-thiophen-2-yl-1,2,4-oxadiazole?
The IUPAC name of 3-[1-[(3-fluorophenyl)methyl]triazol-4-yl]-5-thiophen-2-yl-1,2,4-oxadiazole (CID 53170046) is 3-[1-[(3-fluorophenyl)methyl]triazol-4-yl]-5-thiophen-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 3-[1-[(3-fluorophenyl)methyl]triazol-4-yl]-5-thiophen-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 3-[1-[(3-fluorophenyl)methyl]triazol-4-yl]-5-thiophen-2-yl-1,2,4-oxadiazole is Fc1cccc(Cn2cc(-c3noc(-c4cccs4)n3)nn2)c1.
What is the InChIKey of 3-[1-[(3-fluorophenyl)methyl]triazol-4-yl]-5-thiophen-2-yl-1,2,4-oxadiazole?
The InChIKey is JOPRJTYUQSSVAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10FN5OS/c16-11-4-1-3-10(7-11)8-21-9-12(18-20-21)14-17-15(22-19-14)13-5-2-6-23-13/h1-7,9H,8H2.
What are the key properties of 3-[1-[(3-fluorophenyl)methyl]triazol-4-yl]-5-thiophen-2-yl-1,2,4-oxadiazole?
3-[1-[(3-fluorophenyl)methyl]triazol-4-yl]-5-thiophen-2-yl-1,2,4-oxadiazole has a molecular weight of 327.34 g/mol, XLogP of 3.24, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(3-fluorophenyl)methyl]triazol-4-yl]-5-thiophen-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 53170046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).