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

C20H16FN5O2 — CID 139228848

IUPACN-[[1-[(4-fluorophenyl)methyl]triazol-4-yl]methyl]-5-phenyl-1,2-oxazole-3-carboxamide
SMILESO=C(NCc1cn(Cc2ccc(F)cc2)nn1)c1cc(-c2ccccc2)on1
InChIInChI=1S/C20H16FN5O2/c21-16-8-6-14(7-9-16)12-26-13-17(23-25-26)11-22-20(27)18-10-19(28-24-18)15-4-2-1-3-5-15/h1-10,13H,11-12H2,(H,22,27)
InChIKeySDMIUZJOHYIGIG-UHFFFAOYSA-N
MW377.38 g/mol
LogP3.05
Rot. Bonds6

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

N-[[1-[(4-fluorophenyl)methyl]triazol-4-yl]methyl]-5-phenyl-1,2-oxazole-3-carboxamide (PubChem CID 139228848) has the molecular formula C20H16FN5O2 and a molecular weight of 377.38 g/mol. Its IUPAC name is N-[[1-[(4-fluorophenyl)methyl]triazol-4-yl]methyl]-5-phenyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[[1-[(4-fluorophenyl)methyl]triazol-4-yl]methyl]-5-phenyl-1,2-oxazole-3-carboxamide
PubChem CID139228848
Molecular FormulaC20H16FN5O2
Molecular Weight377.38 g/mol
Exact Mass377.13
IUPAC NameN-[[1-[(4-fluorophenyl)methyl]triazol-4-yl]methyl]-5-phenyl-1,2-oxazole-3-carboxamide
SMILESO=C(NCc1cn(Cc2ccc(F)cc2)nn1)c1cc(-c2ccccc2)on1
InChIInChI=1S/C20H16FN5O2/c21-16-8-6-14(7-9-16)12-26-13-17(23-25-26)11-22-20(27)18-10-19(28-24-18)15-4-2-1-3-5-15/h1-10,13H,11-12H2,(H,22,27)
InChIKeySDMIUZJOHYIGIG-UHFFFAOYSA-N
XLogP3.05
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.38
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[(4-fluorophenyl)methyl]triazol-4-yl]methyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[[1-[(4-fluorophenyl)methyl]triazol-4-yl]methyl]-5-phenyl-1,2-oxazole-3-carboxamide (CID 139228848) is N-[[1-[(4-fluorophenyl)methyl]triazol-4-yl]methyl]-5-phenyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[[1-[(4-fluorophenyl)methyl]triazol-4-yl]methyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[[1-[(4-fluorophenyl)methyl]triazol-4-yl]methyl]-5-phenyl-1,2-oxazole-3-carboxamide is O=C(NCc1cn(Cc2ccc(F)cc2)nn1)c1cc(-c2ccccc2)on1.
What is the InChIKey of N-[[1-[(4-fluorophenyl)methyl]triazol-4-yl]methyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The InChIKey is SDMIUZJOHYIGIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN5O2/c21-16-8-6-14(7-9-16)12-26-13-17(23-25-26)11-22-20(27)18-10-19(28-24-18)15-4-2-1-3-5-15/h1-10,13H,11-12H2,(H,22,27).
What are the key properties of N-[[1-[(4-fluorophenyl)methyl]triazol-4-yl]methyl]-5-phenyl-1,2-oxazole-3-carboxamide?
N-[[1-[(4-fluorophenyl)methyl]triazol-4-yl]methyl]-5-phenyl-1,2-oxazole-3-carboxamide has a molecular weight of 377.38 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(4-fluorophenyl)methyl]triazol-4-yl]methyl]-5-phenyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 139228848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).