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

C24H17FN4O2 — CID 60534337

IUPACN-[2-(3-fluorophenyl)-3H-benzimidazol-5-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2)c1C(=O)Nc1ccc2nc(-c3cccc(F)c3)[nH]c2c1
InChIInChI=1S/C24H17FN4O2/c1-14-21(22(29-31-14)15-6-3-2-4-7-15)24(30)26-18-10-11-19-20(13-18)28-23(27-19)16-8-5-9-17(25)12-16/h2-13H,1H3,(H,26,30)(H,27,28)
InChIKeyDDYZEPAOEYSCLG-UHFFFAOYSA-N
MW412.42 g/mol
LogP5.58
Rot. Bonds4

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

N-[2-(3-fluorophenyl)-3H-benzimidazol-5-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide (PubChem CID 60534337) has the molecular formula C24H17FN4O2 and a molecular weight of 412.42 g/mol. Its IUPAC name is N-[2-(3-fluorophenyl)-3H-benzimidazol-5-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(3-fluorophenyl)-3H-benzimidazol-5-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
PubChem CID60534337
Molecular FormulaC24H17FN4O2
Molecular Weight412.42 g/mol
Exact Mass412.13
IUPAC NameN-[2-(3-fluorophenyl)-3H-benzimidazol-5-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2)c1C(=O)Nc1ccc2nc(-c3cccc(F)c3)[nH]c2c1
InChIInChI=1S/C24H17FN4O2/c1-14-21(22(29-31-14)15-6-3-2-4-7-15)24(30)26-18-10-11-19-20(13-18)28-23(27-19)16-8-5-9-17(25)12-16/h2-13H,1H3,(H,26,30)(H,27,28)
InChIKeyDDYZEPAOEYSCLG-UHFFFAOYSA-N
XLogP5.58
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.42
LogP ≤ 55.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetylphenyl)-3-(3-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 50805851
N-(4-bromo-3-methylphenyl)-3-(3-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 50805432
2-(difluoromethyl)-N-[2-(3-fluorophenyl)-3H-benzimidazol-5-yl]-3H-benzimidazole-5-carboxamide
CID 56561489
N-[2-(3-fluorophenyl)-3H-benzimidazol-5-yl]-2-methylbutanamide
CID 60534062
N-(3-chlorophenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 873609
N-[2-(3-fluorophenyl)-3H-benzimidazol-5-yl]-3-methyl-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carboxamide
CID 55901898
N-[3-(dimethylcarbamoyl)phenyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 32850824
N-[3-[(4-fluorophenyl)methoxy]phenyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 34608313
N-(3-iodo-4-methylphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 2649068
methyl 2-(3-fluorophenyl)-3H-benzimidazole-5-carboxylate
CID 56737080
N-[2-(3-fluorophenyl)-3H-benzimidazol-5-yl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 55863776
N-(3,4-dimethoxyphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 2366225

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluorophenyl)-3H-benzimidazol-5-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[2-(3-fluorophenyl)-3H-benzimidazol-5-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide (CID 60534337) is N-[2-(3-fluorophenyl)-3H-benzimidazol-5-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[2-(3-fluorophenyl)-3H-benzimidazol-5-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[2-(3-fluorophenyl)-3H-benzimidazol-5-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide is Cc1onc(-c2ccccc2)c1C(=O)Nc1ccc2nc(-c3cccc(F)c3)[nH]c2c1.
What is the InChIKey of N-[2-(3-fluorophenyl)-3H-benzimidazol-5-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The InChIKey is DDYZEPAOEYSCLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17FN4O2/c1-14-21(22(29-31-14)15-6-3-2-4-7-15)24(30)26-18-10-11-19-20(13-18)28-23(27-19)16-8-5-9-17(25)12-16/h2-13H,1H3,(H,26,30)(H,27,28).
What are the key properties of N-[2-(3-fluorophenyl)-3H-benzimidazol-5-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
N-[2-(3-fluorophenyl)-3H-benzimidazol-5-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide has a molecular weight of 412.42 g/mol, XLogP of 5.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluorophenyl)-3H-benzimidazol-5-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 60534337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).