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

C16H16FN5O2 — CID 42209716

IUPACN-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1-[(4-fluorophenyl)methyl]triazole-4-carboxamide
SMILESCCc1cc(CNC(=O)c2cn(Cc3ccc(F)cc3)nn2)on1
InChIInChI=1S/C16H16FN5O2/c1-2-13-7-14(24-20-13)8-18-16(23)15-10-22(21-19-15)9-11-3-5-12(17)6-4-11/h3-7,10H,2,8-9H2,1H3,(H,18,23)
InChIKeyGQFAFIXOVPLXCS-UHFFFAOYSA-N
MW329.34 g/mol
LogP1.95
Rot. Bonds6

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

N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1-[(4-fluorophenyl)methyl]triazole-4-carboxamide (PubChem CID 42209716) has the molecular formula C16H16FN5O2 and a molecular weight of 329.34 g/mol. Its IUPAC name is N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1-[(4-fluorophenyl)methyl]triazole-4-carboxamide.

Molecular Properties

Compound NameN-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1-[(4-fluorophenyl)methyl]triazole-4-carboxamide
PubChem CID42209716
Molecular FormulaC16H16FN5O2
Molecular Weight329.34 g/mol
Exact Mass329.13
IUPAC NameN-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1-[(4-fluorophenyl)methyl]triazole-4-carboxamide
SMILESCCc1cc(CNC(=O)c2cn(Cc3ccc(F)cc3)nn2)on1
InChIInChI=1S/C16H16FN5O2/c1-2-13-7-14(24-20-13)8-18-16(23)15-10-22(21-19-15)9-11-3-5-12(17)6-4-11/h3-7,10H,2,8-9H2,1H3,(H,18,23)
InChIKeyGQFAFIXOVPLXCS-UHFFFAOYSA-N
XLogP1.95
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.34
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1-[(4-fluorophenyl)methyl]triazole-4-carboxamide?
The IUPAC name of N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1-[(4-fluorophenyl)methyl]triazole-4-carboxamide (CID 42209716) is N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1-[(4-fluorophenyl)methyl]triazole-4-carboxamide.
What is the SMILES notation for N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1-[(4-fluorophenyl)methyl]triazole-4-carboxamide?
The canonical SMILES for N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1-[(4-fluorophenyl)methyl]triazole-4-carboxamide is CCc1cc(CNC(=O)c2cn(Cc3ccc(F)cc3)nn2)on1.
What is the InChIKey of N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1-[(4-fluorophenyl)methyl]triazole-4-carboxamide?
The InChIKey is GQFAFIXOVPLXCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN5O2/c1-2-13-7-14(24-20-13)8-18-16(23)15-10-22(21-19-15)9-11-3-5-12(17)6-4-11/h3-7,10H,2,8-9H2,1H3,(H,18,23).
What are the key properties of N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1-[(4-fluorophenyl)methyl]triazole-4-carboxamide?
N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1-[(4-fluorophenyl)methyl]triazole-4-carboxamide has a molecular weight of 329.34 g/mol, XLogP of 1.95, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1-[(4-fluorophenyl)methyl]triazole-4-carboxamide is sourced from PubChem (CID 42209716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).