N-[(4-fluorophenyl)methyl]-1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide

C24H17FN6O2 — CID 53490058

IUPACN-[(4-fluorophenyl)methyl]-1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1cn(-c2ncccc2-c2nc(-c3ccccc3)no2)cn1
InChIInChI=1S/C24H17FN6O2/c25-18-10-8-16(9-11-18)13-27-23(32)20-14-31(15-28-20)22-19(7-4-12-26-22)24-29-21(30-33-24)17-5-2-1-3-6-17/h1-12,14-15H,13H2,(H,27,32)
InChIKeyLEWKVRRPGBIJDK-UHFFFAOYSA-N
MW440.44 g/mol
LogP4.05
Rot. Bonds6

About N-[(4-fluorophenyl)methyl]-1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide

N-[(4-fluorophenyl)methyl]-1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide (PubChem CID 53490058) has the molecular formula C24H17FN6O2 and a molecular weight of 440.44 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide
PubChem CID53490058
Molecular FormulaC24H17FN6O2
Molecular Weight440.44 g/mol
Exact Mass440.14
IUPAC NameN-[(4-fluorophenyl)methyl]-1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1cn(-c2ncccc2-c2nc(-c3ccccc3)no2)cn1
InChIInChI=1S/C24H17FN6O2/c25-18-10-8-16(9-11-18)13-27-23(32)20-14-31(15-28-20)22-19(7-4-12-26-22)24-29-21(30-33-24)17-5-2-1-3-6-17/h1-12,14-15H,13H2,(H,27,32)
InChIKeyLEWKVRRPGBIJDK-UHFFFAOYSA-N
XLogP4.05
TPSA98.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.44
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide (CID 53490058) is N-[(4-fluorophenyl)methyl]-1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide is O=C(NCc1ccc(F)cc1)c1cn(-c2ncccc2-c2nc(-c3ccccc3)no2)cn1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide?
The InChIKey is LEWKVRRPGBIJDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17FN6O2/c25-18-10-8-16(9-11-18)13-27-23(32)20-14-31(15-28-20)22-19(7-4-12-26-22)24-29-21(30-33-24)17-5-2-1-3-6-17/h1-12,14-15H,13H2,(H,27,32).
What are the key properties of N-[(4-fluorophenyl)methyl]-1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide?
N-[(4-fluorophenyl)methyl]-1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide has a molecular weight of 440.44 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide is sourced from PubChem (CID 53490058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).