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

C19H14FN5O2 — CID 4866870

IUPACN-[1-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-5-phenyl-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1ncn(Cc2ccc(F)cc2)n1)c1cc(-c2ccccc2)on1
InChIInChI=1S/C19H14FN5O2/c20-15-8-6-13(7-9-15)11-25-12-21-19(23-25)22-18(26)16-10-17(27-24-16)14-4-2-1-3-5-14/h1-10,12H,11H2,(H,22,23,26)
InChIKeyMZOXOQYPKOGLHR-UHFFFAOYSA-N
MW363.35 g/mol
LogP3.37
Rot. Bonds5

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

N-[1-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-5-phenyl-1,2-oxazole-3-carboxamide (PubChem CID 4866870) has the molecular formula C19H14FN5O2 and a molecular weight of 363.35 g/mol. Its IUPAC name is N-[1-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-5-phenyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-5-phenyl-1,2-oxazole-3-carboxamide
PubChem CID4866870
Molecular FormulaC19H14FN5O2
Molecular Weight363.35 g/mol
Exact Mass363.11
IUPAC NameN-[1-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-5-phenyl-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1ncn(Cc2ccc(F)cc2)n1)c1cc(-c2ccccc2)on1
InChIInChI=1S/C19H14FN5O2/c20-15-8-6-13(7-9-15)11-25-12-21-19(23-25)22-18(26)16-10-17(27-24-16)14-4-2-1-3-5-14/h1-10,12H,11H2,(H,22,23,26)
InChIKeyMZOXOQYPKOGLHR-UHFFFAOYSA-N
XLogP3.37
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.35
LogP ≤ 53.37
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]-1,2,4-triazol-3-yl]-5-phenyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[1-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-5-phenyl-1,2-oxazole-3-carboxamide (CID 4866870) is N-[1-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-5-phenyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[1-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-5-phenyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[1-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-5-phenyl-1,2-oxazole-3-carboxamide is O=C(Nc1ncn(Cc2ccc(F)cc2)n1)c1cc(-c2ccccc2)on1.
What is the InChIKey of N-[1-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-5-phenyl-1,2-oxazole-3-carboxamide?
The InChIKey is MZOXOQYPKOGLHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN5O2/c20-15-8-6-13(7-9-15)11-25-12-21-19(23-25)22-18(26)16-10-17(27-24-16)14-4-2-1-3-5-14/h1-10,12H,11H2,(H,22,23,26).
What are the key properties of N-[1-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-5-phenyl-1,2-oxazole-3-carboxamide?
N-[1-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-5-phenyl-1,2-oxazole-3-carboxamide has a molecular weight of 363.35 g/mol, XLogP of 3.37, 5 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]-1,2,4-triazol-3-yl]-5-phenyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 4866870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).