1-(4-fluorophenyl)-N-(5-methyl-1,2-oxazol-3-yl)-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide

C17H12FN5O2S — CID 17489181

IUPAC1-(4-fluorophenyl)-N-(5-methyl-1,2-oxazol-3-yl)-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide
SMILESCc1cc(NC(=O)c2nc(-c3cccs3)n(-c3ccc(F)cc3)n2)no1
InChIInChI=1S/C17H12FN5O2S/c1-10-9-14(22-25-10)19-17(24)15-20-16(13-3-2-8-26-13)23(21-15)12-6-4-11(18)5-7-12/h2-9H,1H3,(H,19,22,24)
InChIKeyDSFXIWYEOCXBST-UHFFFAOYSA-N
MW369.38 g/mol
LogP3.68
Rot. Bonds4

About 1-(4-fluorophenyl)-N-(5-methyl-1,2-oxazol-3-yl)-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide

1-(4-fluorophenyl)-N-(5-methyl-1,2-oxazol-3-yl)-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide (PubChem CID 17489181) has the molecular formula C17H12FN5O2S and a molecular weight of 369.38 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-(5-methyl-1,2-oxazol-3-yl)-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-(5-methyl-1,2-oxazol-3-yl)-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide
PubChem CID17489181
Molecular FormulaC17H12FN5O2S
Molecular Weight369.38 g/mol
Exact Mass369.07
IUPAC Name1-(4-fluorophenyl)-N-(5-methyl-1,2-oxazol-3-yl)-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide
SMILESCc1cc(NC(=O)c2nc(-c3cccs3)n(-c3ccc(F)cc3)n2)no1
InChIInChI=1S/C17H12FN5O2S/c1-10-9-14(22-25-10)19-17(24)15-20-16(13-3-2-8-26-13)23(21-15)12-6-4-11(18)5-7-12/h2-9H,1H3,(H,19,22,24)
InChIKeyDSFXIWYEOCXBST-UHFFFAOYSA-N
XLogP3.68
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.38
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 1-(4-fluorophenyl)-5-thiophen-2-yl-1,2,4-triazole-3-carboxylate
CID 46519480
N-(2-fluorophenyl)-1-(4-fluorophenyl)-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide
CID 41466857
1-(4-fluorophenyl)-N-(2-propan-2-ylpyrazol-3-yl)-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide
CID 30187349
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(4-fluorophenyl)-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide
CID 55506834
N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-1-(4-fluorophenyl)-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide
CID 55516098
N-[2-(ethylamino)-2-oxoethyl]-1-(4-fluorophenyl)-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide
CID 18145886
N-(4-acetamidocyclohexyl)-1-(4-fluorophenyl)-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide
CID 154805770
N-[4-(3-amino-3-oxopropoxy)phenyl]-1-(4-fluorophenyl)-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide
CID 55727870
N-[1-(3-acetamidophenyl)ethyl]-1-(4-fluorophenyl)-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide
CID 46467801
1-(4-fluorophenyl)-N-(2-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide
CID 55503814
1-(4-fluorophenyl)-N-[2-(pyrazol-1-ylmethyl)phenyl]-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide
CID 55673974
1-(4-fluorophenyl)-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide
CID 55609183

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-(5-methyl-1,2-oxazol-3-yl)-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-(5-methyl-1,2-oxazol-3-yl)-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide (CID 17489181) is 1-(4-fluorophenyl)-N-(5-methyl-1,2-oxazol-3-yl)-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-(5-methyl-1,2-oxazol-3-yl)-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-(5-methyl-1,2-oxazol-3-yl)-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide is Cc1cc(NC(=O)c2nc(-c3cccs3)n(-c3ccc(F)cc3)n2)no1.
What is the InChIKey of 1-(4-fluorophenyl)-N-(5-methyl-1,2-oxazol-3-yl)-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide?
The InChIKey is DSFXIWYEOCXBST-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FN5O2S/c1-10-9-14(22-25-10)19-17(24)15-20-16(13-3-2-8-26-13)23(21-15)12-6-4-11(18)5-7-12/h2-9H,1H3,(H,19,22,24).
What are the key properties of 1-(4-fluorophenyl)-N-(5-methyl-1,2-oxazol-3-yl)-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide?
1-(4-fluorophenyl)-N-(5-methyl-1,2-oxazol-3-yl)-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide has a molecular weight of 369.38 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-(5-methyl-1,2-oxazol-3-yl)-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 17489181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).