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

C16H16FN5O2 — CID 46968746

IUPACN-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1-(4-fluorophenyl)-5-methyltriazole-4-carboxamide
SMILESCCc1cc(CNC(=O)c2nnn(-c3ccc(F)cc3)c2C)on1
InChIInChI=1S/C16H16FN5O2/c1-3-12-8-14(24-20-12)9-18-16(23)15-10(2)22(21-19-15)13-6-4-11(17)5-7-13/h4-8H,3,9H2,1-2H3,(H,18,23)
InChIKeySUBNOVHIZJECOS-UHFFFAOYSA-N
MW329.34 g/mol
LogP2.20
Rot. Bonds5

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

N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1-(4-fluorophenyl)-5-methyltriazole-4-carboxamide (PubChem CID 46968746) 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)-5-methyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1-(4-fluorophenyl)-5-methyltriazole-4-carboxamide
PubChem CID46968746
Molecular FormulaC16H16FN5O2
Molecular Weight329.34 g/mol
Exact Mass329.13
IUPAC NameN-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1-(4-fluorophenyl)-5-methyltriazole-4-carboxamide
SMILESCCc1cc(CNC(=O)c2nnn(-c3ccc(F)cc3)c2C)on1
InChIInChI=1S/C16H16FN5O2/c1-3-12-8-14(24-20-12)9-18-16(23)15-10(2)22(21-19-15)13-6-4-11(17)5-7-13/h4-8H,3,9H2,1-2H3,(H,18,23)
InChIKeySUBNOVHIZJECOS-UHFFFAOYSA-N
XLogP2.20
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.34
LogP ≤ 52.20
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)-5-methyltriazole-4-carboxamide?
The IUPAC name of N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1-(4-fluorophenyl)-5-methyltriazole-4-carboxamide (CID 46968746) is N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1-(4-fluorophenyl)-5-methyltriazole-4-carboxamide.
What is the SMILES notation for N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1-(4-fluorophenyl)-5-methyltriazole-4-carboxamide?
The canonical SMILES for N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1-(4-fluorophenyl)-5-methyltriazole-4-carboxamide is CCc1cc(CNC(=O)c2nnn(-c3ccc(F)cc3)c2C)on1.
What is the InChIKey of N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1-(4-fluorophenyl)-5-methyltriazole-4-carboxamide?
The InChIKey is SUBNOVHIZJECOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN5O2/c1-3-12-8-14(24-20-12)9-18-16(23)15-10(2)22(21-19-15)13-6-4-11(17)5-7-13/h4-8H,3,9H2,1-2H3,(H,18,23).
What are the key properties of N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1-(4-fluorophenyl)-5-methyltriazole-4-carboxamide?
N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1-(4-fluorophenyl)-5-methyltriazole-4-carboxamide has a molecular weight of 329.34 g/mol, XLogP of 2.20, 5 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)-5-methyltriazole-4-carboxamide is sourced from PubChem (CID 46968746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).