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

C17H12FN5O2S — CID 17022379

IUPACN-[1-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1ncn(Cc2ccc(F)cc2)n1)c1cc(-c2cccs2)on1
InChIInChI=1S/C17H12FN5O2S/c18-12-5-3-11(4-6-12)9-23-10-19-17(21-23)20-16(24)13-8-14(25-22-13)15-2-1-7-26-15/h1-8,10H,9H2,(H,20,21,24)
InChIKeyFOLMRLVWMITHFD-UHFFFAOYSA-N
MW369.38 g/mol
LogP3.43
Rot. Bonds5

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

N-[1-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide (PubChem CID 17022379) has the molecular formula C17H12FN5O2S and a molecular weight of 369.38 g/mol. Its IUPAC name is N-[1-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
PubChem CID17022379
Molecular FormulaC17H12FN5O2S
Molecular Weight369.38 g/mol
Exact Mass369.07
IUPAC NameN-[1-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1ncn(Cc2ccc(F)cc2)n1)c1cc(-c2cccs2)on1
InChIInChI=1S/C17H12FN5O2S/c18-12-5-3-11(4-6-12)9-23-10-19-17(21-23)20-16(24)13-8-14(25-22-13)15-2-1-7-26-15/h1-8,10H,9H2,(H,20,21,24)
InChIKeyFOLMRLVWMITHFD-UHFFFAOYSA-N
XLogP3.43
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.38
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-(4-methylbenzyl)-1H-pyrazol-3-yl]-5-thien-2-ylisoxazole-3-carboxamide
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N-(2-(6-oxo-3-(1H-1,2,4-triazol-1-yl)pyridazin-1(6H)-yl)ethyl)-5-(thiophen-2-yl)isoxazole-3-carboxamide
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5-thiophen-2-yl-3-[[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,2-oxazole
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CID 95609862
5-(thiophen-2-yl)-N-((6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl)isoxazole-3-carboxamide
CID 121022013
N-[1-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 4866870
N-[1-(2-fluorobenzyl)-1H-1,2,4-triazol-3-yl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 5241868
N-[1-(3-fluorobenzyl)-1H-1,2,4-triazol-3-yl]-5-phenyl-1,2-oxazole-3-carboxamide
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5-(4-fluorophenyl)-N-[3-(1,2,4-triazol-1-yl)propyl]-1,2-oxazole-3-carboxamide
CID 24738316
5-(4-fluorophenyl)-N-[2-(1,2,4-triazol-1-yl)ethyl]-1,2-oxazole-3-carboxamide
CID 25166916
N-[1-[(3-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[1-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide (CID 17022379) is N-[1-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[1-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[1-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide is O=C(Nc1ncn(Cc2ccc(F)cc2)n1)c1cc(-c2cccs2)on1.
What is the InChIKey of N-[1-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The InChIKey is FOLMRLVWMITHFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FN5O2S/c18-12-5-3-11(4-6-12)9-23-10-19-17(21-23)20-16(24)13-8-14(25-22-13)15-2-1-7-26-15/h1-8,10H,9H2,(H,20,21,24).
What are the key properties of N-[1-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
N-[1-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide has a molecular weight of 369.38 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 17022379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).