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

C20H17FN4O2 — CID 55795679

IUPACN-[2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]-3-methyl-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)NC(Cn2cnc3ccccc32)c2ccc(F)cc2)on1
InChIInChI=1S/C20H17FN4O2/c1-13-10-19(27-24-13)20(26)23-17(14-6-8-15(21)9-7-14)11-25-12-22-16-4-2-3-5-18(16)25/h2-10,12,17H,11H2,1H3,(H,23,26)
InChIKeyCTXXXGVOSQLEPW-UHFFFAOYSA-N
MW364.38 g/mol
LogP3.64
Rot. Bonds5

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

N-[2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]-3-methyl-1,2-oxazole-5-carboxamide (PubChem CID 55795679) has the molecular formula C20H17FN4O2 and a molecular weight of 364.38 g/mol. Its IUPAC name is N-[2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]-3-methyl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]-3-methyl-1,2-oxazole-5-carboxamide
PubChem CID55795679
Molecular FormulaC20H17FN4O2
Molecular Weight364.38 g/mol
Exact Mass364.13
IUPAC NameN-[2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]-3-methyl-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)NC(Cn2cnc3ccccc32)c2ccc(F)cc2)on1
InChIInChI=1S/C20H17FN4O2/c1-13-10-19(27-24-13)20(26)23-17(14-6-8-15(21)9-7-14)11-25-12-22-16-4-2-3-5-18(16)25/h2-10,12,17H,11H2,1H3,(H,23,26)
InChIKeyCTXXXGVOSQLEPW-UHFFFAOYSA-N
XLogP3.64
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.38
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]-5-methyl-1-phenylpyrazole-3-carboxamide
CID 55795787
2-amino-N-[(1S)-2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]acetamide
CID 124701161
N-[2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]-2-methoxyacetamide
CID 71941395
N-[2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]-2-methyl-3-(methylamino)propanamide
CID 119851641
N-[2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]-2-(3-methoxy-4-methylphenyl)acetamide
CID 55795820
N-[(1S)-2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]azetidine-1-carboxamide
CID 94103478
N-[2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 55795647
1-[2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]-3-(4-methoxyphenyl)urea
CID 55806426
N-[2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]-2-fluorobenzenesulfonamide
CID 42962607
N-[2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]-3,5-difluorobenzenesulfonamide
CID 55736806
N-[2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]-2-[(3-methoxyphenyl)methoxy]propanamide
CID 55795884
N-[2-[[2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]amino]-2-oxoethyl]cyclopentanecarboxamide
CID 86933208

Frequently Asked Questions

What is the IUPAC name of N-[2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]-3-methyl-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]-3-methyl-1,2-oxazole-5-carboxamide (CID 55795679) is N-[2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]-3-methyl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]-3-methyl-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]-3-methyl-1,2-oxazole-5-carboxamide is Cc1cc(C(=O)NC(Cn2cnc3ccccc32)c2ccc(F)cc2)on1.
What is the InChIKey of N-[2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]-3-methyl-1,2-oxazole-5-carboxamide?
The InChIKey is CTXXXGVOSQLEPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4O2/c1-13-10-19(27-24-13)20(26)23-17(14-6-8-15(21)9-7-14)11-25-12-22-16-4-2-3-5-18(16)25/h2-10,12,17H,11H2,1H3,(H,23,26).
What are the key properties of N-[2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]-3-methyl-1,2-oxazole-5-carboxamide?
N-[2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]-3-methyl-1,2-oxazole-5-carboxamide has a molecular weight of 364.38 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]-3-methyl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 55795679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).