N-[3-(benzimidazol-1-yl)propyl]-5-(3,4-difluorophenyl)-1,2-oxazole-3-carboxamide

C20H16F2N4O2 — CID 91949588

IUPACN-[3-(benzimidazol-1-yl)propyl]-5-(3,4-difluorophenyl)-1,2-oxazole-3-carboxamide
SMILESO=C(NCCCn1cnc2ccccc21)c1cc(-c2ccc(F)c(F)c2)on1
InChIInChI=1S/C20H16F2N4O2/c21-14-7-6-13(10-15(14)22)19-11-17(25-28-19)20(27)23-8-3-9-26-12-24-16-4-1-2-5-18(16)26/h1-2,4-7,10-12H,3,8-9H2,(H,23,27)
InChIKeyCLMUWTNLOZQZKM-UHFFFAOYSA-N
MW382.37 g/mol
LogP3.79
Rot. Bonds6

About N-[3-(benzimidazol-1-yl)propyl]-5-(3,4-difluorophenyl)-1,2-oxazole-3-carboxamide

N-[3-(benzimidazol-1-yl)propyl]-5-(3,4-difluorophenyl)-1,2-oxazole-3-carboxamide (PubChem CID 91949588) has the molecular formula C20H16F2N4O2 and a molecular weight of 382.37 g/mol. Its IUPAC name is N-[3-(benzimidazol-1-yl)propyl]-5-(3,4-difluorophenyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-(benzimidazol-1-yl)propyl]-5-(3,4-difluorophenyl)-1,2-oxazole-3-carboxamide
PubChem CID91949588
Molecular FormulaC20H16F2N4O2
Molecular Weight382.37 g/mol
Exact Mass382.12
IUPAC NameN-[3-(benzimidazol-1-yl)propyl]-5-(3,4-difluorophenyl)-1,2-oxazole-3-carboxamide
SMILESO=C(NCCCn1cnc2ccccc21)c1cc(-c2ccc(F)c(F)c2)on1
InChIInChI=1S/C20H16F2N4O2/c21-14-7-6-13(10-15(14)22)19-11-17(25-28-19)20(27)23-8-3-9-26-12-24-16-4-1-2-5-18(16)26/h1-2,4-7,10-12H,3,8-9H2,(H,23,27)
InChIKeyCLMUWTNLOZQZKM-UHFFFAOYSA-N
XLogP3.79
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.37
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(benzimidazol-1-yl)propyl]-2,6-difluorobenzamide
CID 86912487
N-[3-(benzimidazol-1-yl)propyl]-2-(2-fluorophenoxy)acetamide
CID 51214747
N-[3-(benzimidazol-1-yl)propyl]-4-bromo-1H-pyrrole-2-carboxamide
CID 51256035
N-[2-(benzimidazol-1-yl)ethyl]thiophene-2-carboxamide
CID 51091236
N-[3-(benzimidazol-1-yl)propyl]-2,2-dimethylpropanamide
CID 47127030
N-[3-(benzimidazol-1-yl)propyl]-4-methylsulfonylbenzamide
CID 51221971
5-(benzimidazol-1-ylmethyl)-N-(2-phenylethyl)-1,2-oxazole-3-carboxamide
CID 42532895
1-[3-(benzimidazol-1-yl)propyl]-3-[2-(2-fluorophenyl)ethyl]-2-methylguanidine
CID 111361421
N-[3-(benzimidazol-1-yl)propyl]-4-chlorobutanamide
CID 63308679
N-[3-(benzimidazol-1-yl)propyl]-4-ethoxybenzamide
CID 17499528
N-[3-(benzimidazol-1-yl)propyl]-4-[(4-fluorophenyl)sulfamoyl]benzamide
CID 55407936
N-[3-(benzimidazol-1-yl)propyl]-2-[(4-fluorophenyl)sulfonylamino]benzamide
CID 17419797

Frequently Asked Questions

What is the IUPAC name of N-[3-(benzimidazol-1-yl)propyl]-5-(3,4-difluorophenyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[3-(benzimidazol-1-yl)propyl]-5-(3,4-difluorophenyl)-1,2-oxazole-3-carboxamide (CID 91949588) is N-[3-(benzimidazol-1-yl)propyl]-5-(3,4-difluorophenyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[3-(benzimidazol-1-yl)propyl]-5-(3,4-difluorophenyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[3-(benzimidazol-1-yl)propyl]-5-(3,4-difluorophenyl)-1,2-oxazole-3-carboxamide is O=C(NCCCn1cnc2ccccc21)c1cc(-c2ccc(F)c(F)c2)on1.
What is the InChIKey of N-[3-(benzimidazol-1-yl)propyl]-5-(3,4-difluorophenyl)-1,2-oxazole-3-carboxamide?
The InChIKey is CLMUWTNLOZQZKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F2N4O2/c21-14-7-6-13(10-15(14)22)19-11-17(25-28-19)20(27)23-8-3-9-26-12-24-16-4-1-2-5-18(16)26/h1-2,4-7,10-12H,3,8-9H2,(H,23,27).
What are the key properties of N-[3-(benzimidazol-1-yl)propyl]-5-(3,4-difluorophenyl)-1,2-oxazole-3-carboxamide?
N-[3-(benzimidazol-1-yl)propyl]-5-(3,4-difluorophenyl)-1,2-oxazole-3-carboxamide has a molecular weight of 382.37 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(benzimidazol-1-yl)propyl]-5-(3,4-difluorophenyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 91949588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).