5-[(4-fluorophenoxy)methyl]-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]furan-2-carboxamide

C15H10F4N4O3 — CID 36579789

IUPAC5-[(4-fluorophenoxy)methyl]-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]furan-2-carboxamide
SMILESO=C(Nc1n[nH]c(C(F)(F)F)n1)c1ccc(COc2ccc(F)cc2)o1
InChIInChI=1S/C15H10F4N4O3/c16-8-1-3-9(4-2-8)25-7-10-5-6-11(26-10)12(24)20-14-21-13(22-23-14)15(17,18)19/h1-6H,7H2,(H2,20,21,22,23,24)
InChIKeyKVPMYOKXRKYPDN-UHFFFAOYSA-N
MW370.26 g/mol
LogP3.39
Rot. Bonds5

About 5-[(4-fluorophenoxy)methyl]-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]furan-2-carboxamide

5-[(4-fluorophenoxy)methyl]-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]furan-2-carboxamide (PubChem CID 36579789) has the molecular formula C15H10F4N4O3 and a molecular weight of 370.26 g/mol. Its IUPAC name is 5-[(4-fluorophenoxy)methyl]-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]furan-2-carboxamide.

Molecular Properties

Compound Name5-[(4-fluorophenoxy)methyl]-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]furan-2-carboxamide
PubChem CID36579789
Molecular FormulaC15H10F4N4O3
Molecular Weight370.26 g/mol
Exact Mass370.07
IUPAC Name5-[(4-fluorophenoxy)methyl]-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]furan-2-carboxamide
SMILESO=C(Nc1n[nH]c(C(F)(F)F)n1)c1ccc(COc2ccc(F)cc2)o1
InChIInChI=1S/C15H10F4N4O3/c16-8-1-3-9(4-2-8)25-7-10-5-6-11(26-10)12(24)20-14-21-13(22-23-14)15(17,18)19/h1-6H,7H2,(H2,20,21,22,23,24)
InChIKeyKVPMYOKXRKYPDN-UHFFFAOYSA-N
XLogP3.39
TPSA93.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.26
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-[(4-fluorophenoxy)methyl]-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]furan-2-carboxamide with MolForge

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Related Compounds

5-[(4-fluorophenoxy)methyl]-N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]furan-2-carboxamide
CID 60511213
5-[(4-fluorophenoxy)methyl]-N-(4-methoxyphenyl)furan-2-carboxamide
CID 27228908
5-[(4-fluorophenoxy)methyl]-N-[4-[(2-methoxyacetyl)amino]phenyl]furan-2-carboxamide
CID 46666068
methyl 4-[[5-[[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]carbamoyl]furan-2-yl]methoxy]benzoate
CID 19449044
5-[(4-fluorophenoxy)methyl]-N-(4-phenylphenyl)furan-2-carboxamide
CID 19413095
N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide
CID 43072047
N-[4-(dimethylamino)phenyl]-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide
CID 78776389
N'-benzoyl-5-[(4-fluorophenoxy)methyl]furan-2-carbohydrazide
CID 27555711
5-[(4-fluorophenoxy)methyl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)furan-2-carboxamide
CID 41163900
N-(2,3-dimethylphenyl)-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide
CID 16547761
5-[(4-fluorophenoxy)methyl]-N-[2-(4-methoxyphenyl)ethyl]furan-2-carboxamide
CID 55344956
N-[1-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-5-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]furan-2-carboxamide
CID 19457116

Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluorophenoxy)methyl]-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]furan-2-carboxamide?
The IUPAC name of 5-[(4-fluorophenoxy)methyl]-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]furan-2-carboxamide (CID 36579789) is 5-[(4-fluorophenoxy)methyl]-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]furan-2-carboxamide.
What is the SMILES notation for 5-[(4-fluorophenoxy)methyl]-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]furan-2-carboxamide?
The canonical SMILES for 5-[(4-fluorophenoxy)methyl]-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]furan-2-carboxamide is O=C(Nc1n[nH]c(C(F)(F)F)n1)c1ccc(COc2ccc(F)cc2)o1.
What is the InChIKey of 5-[(4-fluorophenoxy)methyl]-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]furan-2-carboxamide?
The InChIKey is KVPMYOKXRKYPDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F4N4O3/c16-8-1-3-9(4-2-8)25-7-10-5-6-11(26-10)12(24)20-14-21-13(22-23-14)15(17,18)19/h1-6H,7H2,(H2,20,21,22,23,24).
What are the key properties of 5-[(4-fluorophenoxy)methyl]-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]furan-2-carboxamide?
5-[(4-fluorophenoxy)methyl]-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]furan-2-carboxamide has a molecular weight of 370.26 g/mol, XLogP of 3.39, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorophenoxy)methyl]-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]furan-2-carboxamide is sourced from PubChem (CID 36579789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).