N-(3-fluorophenyl)-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)oxy]acetamide

C15H12FN5O2 — CID 10086929

IUPACN-(3-fluorophenyl)-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)oxy]acetamide
SMILESO=C(COc1n[nH]c(-c2ccncc2)n1)Nc1cccc(F)c1
InChIInChI=1S/C15H12FN5O2/c16-11-2-1-3-12(8-11)18-13(22)9-23-15-19-14(20-21-15)10-4-6-17-7-5-10/h1-8H,9H2,(H,18,22)(H,19,20,21)
InChIKeyDFDWVJVCHLDOBD-UHFFFAOYSA-N
MW313.29 g/mol
LogP2.02
Rot. Bonds5

About N-(3-fluorophenyl)-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)oxy]acetamide

N-(3-fluorophenyl)-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)oxy]acetamide (PubChem CID 10086929) has the molecular formula C15H12FN5O2 and a molecular weight of 313.29 g/mol. Its IUPAC name is N-(3-fluorophenyl)-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)oxy]acetamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)oxy]acetamide
PubChem CID10086929
Molecular FormulaC15H12FN5O2
Molecular Weight313.29 g/mol
Exact Mass313.10
IUPAC NameN-(3-fluorophenyl)-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)oxy]acetamide
SMILESO=C(COc1n[nH]c(-c2ccncc2)n1)Nc1cccc(F)c1
InChIInChI=1S/C15H12FN5O2/c16-11-2-1-3-12(8-11)18-13(22)9-23-15-19-14(20-21-15)10-4-6-17-7-5-10/h1-8H,9H2,(H,18,22)(H,19,20,21)
InChIKeyDFDWVJVCHLDOBD-UHFFFAOYSA-N
XLogP2.02
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.29
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-fluorophenyl)-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)amino]acetamide
CID 10041196
N-methyl-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)oxy]acetamide
CID 59698704
N-(3-fluorophenyl)-2-[(5-pyridin-4-yl-1H-imidazol-2-yl)amino]acetamide
CID 10267452
2-(2-amino-3-hydroxyphenoxy)-N-(3-fluorophenyl)acetamide
CID 114764190
2-[4-(4-cyanophenyl)phenoxy]-N-(3-fluorophenyl)acetamide
CID 7966651
4-[2-(3-fluoroanilino)-2-oxoethoxy]benzamide
CID 7931240
2-(2,6-dimethoxyphenoxy)-N-(3-fluorophenyl)acetamide
CID 7612567
2-(4-fluorophenoxy)-N-[3-(1H-pyrazol-5-yl)phenyl]acetamide
CID 38808772
2-(3-fluorophenoxy)-N-phenylacetamide
CID 2709732
N-[3-[2-(3-fluoroanilino)-1,3-thiazol-4-yl]phenyl]-2-phenoxyacetamide
CID 42764865
2-(3-ethylphenoxy)-N-(3-fluorophenyl)acetamide
CID 2709979
N-(3-fluorophenyl)-2-(3-hydroxy-5-methylphenoxy)acetamide
CID 107679675

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)oxy]acetamide?
The IUPAC name of N-(3-fluorophenyl)-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)oxy]acetamide (CID 10086929) is N-(3-fluorophenyl)-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)oxy]acetamide.
What is the SMILES notation for N-(3-fluorophenyl)-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)oxy]acetamide?
The canonical SMILES for N-(3-fluorophenyl)-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)oxy]acetamide is O=C(COc1n[nH]c(-c2ccncc2)n1)Nc1cccc(F)c1.
What is the InChIKey of N-(3-fluorophenyl)-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)oxy]acetamide?
The InChIKey is DFDWVJVCHLDOBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN5O2/c16-11-2-1-3-12(8-11)18-13(22)9-23-15-19-14(20-21-15)10-4-6-17-7-5-10/h1-8H,9H2,(H,18,22)(H,19,20,21).
What are the key properties of N-(3-fluorophenyl)-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)oxy]acetamide?
N-(3-fluorophenyl)-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)oxy]acetamide has a molecular weight of 313.29 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)oxy]acetamide is sourced from PubChem (CID 10086929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).