N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetamide

C18H12ClFN6O3 — CID 27040346

IUPACN-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetamide
SMILESO=C(Cn1nc(-c2ccc(F)cc2)oc1=O)Nc1cc(Cl)ccc1-n1cncn1
InChIInChI=1S/C18H12ClFN6O3/c19-12-3-6-15(26-10-21-9-22-26)14(7-12)23-16(27)8-25-18(28)29-17(24-25)11-1-4-13(20)5-2-11/h1-7,9-10H,8H2,(H,23,27)
InChIKeyIJJNMCWFDWDZML-UHFFFAOYSA-N
MW414.78 g/mol
LogP2.52
Rot. Bonds5

About N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetamide

N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetamide (PubChem CID 27040346) has the molecular formula C18H12ClFN6O3 and a molecular weight of 414.78 g/mol. Its IUPAC name is N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetamide.

Molecular Properties

Compound NameN-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetamide
PubChem CID27040346
Molecular FormulaC18H12ClFN6O3
Molecular Weight414.78 g/mol
Exact Mass414.06
IUPAC NameN-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetamide
SMILESO=C(Cn1nc(-c2ccc(F)cc2)oc1=O)Nc1cc(Cl)ccc1-n1cncn1
InChIInChI=1S/C18H12ClFN6O3/c19-12-3-6-15(26-10-21-9-22-26)14(7-12)23-16(27)8-25-18(28)29-17(24-25)11-1-4-13(20)5-2-11/h1-7,9-10H,8H2,(H,23,27)
InChIKeyIJJNMCWFDWDZML-UHFFFAOYSA-N
XLogP2.52
TPSA107.84 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.78
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(4-chloro-2-methylphenyl)-2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetamide
CID 27039883
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(4,5-dichloro-6-oxopyridazin-1-yl)acetamide
CID 8862190
2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]acetamide
CID 8986507
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(2,5-difluoroanilino)acetamide
CID 42069734
N-(4-fluoro-2-methylphenyl)-2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetamide
CID 9426253
[2-[5-chloro-2-(1,2,4-triazol-1-yl)anilino]-2-oxoethyl] 2-(4-fluorophenyl)acetate
CID 8612965
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(2-fluorophenyl)acetamide
CID 18084476
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide
CID 8897148
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(2-fluorophenyl)sulfanylacetamide
CID 7964673
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-[[(4-fluorophenyl)-phenylmethyl]amino]acetamide
CID 60537022
N-[(3-chlorophenyl)methyl]-2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetamide
CID 9209879
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]acetamide
CID 9116505

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetamide?
The IUPAC name of N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetamide (CID 27040346) is N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetamide.
What is the SMILES notation for N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetamide?
The canonical SMILES for N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetamide is O=C(Cn1nc(-c2ccc(F)cc2)oc1=O)Nc1cc(Cl)ccc1-n1cncn1.
What is the InChIKey of N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetamide?
The InChIKey is IJJNMCWFDWDZML-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClFN6O3/c19-12-3-6-15(26-10-21-9-22-26)14(7-12)23-16(27)8-25-18(28)29-17(24-25)11-1-4-13(20)5-2-11/h1-7,9-10H,8H2,(H,23,27).
What are the key properties of N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetamide?
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetamide has a molecular weight of 414.78 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetamide is sourced from PubChem (CID 27040346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).