5-(benzimidazol-1-ylmethyl)-N-cyclopentyl-1,2-oxazole-3-carboxamide

C17H18N4O2 — CID 42596561

IUPAC5-(benzimidazol-1-ylmethyl)-N-cyclopentyl-1,2-oxazole-3-carboxamide
SMILESO=C(NC1CCCC1)c1cc(Cn2cnc3ccccc32)on1
InChIInChI=1S/C17H18N4O2/c22-17(19-12-5-1-2-6-12)15-9-13(23-20-15)10-21-11-18-14-7-3-4-8-16(14)21/h3-4,7-9,11-12H,1-2,5-6,10H2,(H,19,22)
InChIKeyFXLKWBZIFHDKIH-UHFFFAOYSA-N
MW310.36 g/mol
LogP2.74
Rot. Bonds4

About 5-(benzimidazol-1-ylmethyl)-N-cyclopentyl-1,2-oxazole-3-carboxamide

5-(benzimidazol-1-ylmethyl)-N-cyclopentyl-1,2-oxazole-3-carboxamide (PubChem CID 42596561) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is 5-(benzimidazol-1-ylmethyl)-N-cyclopentyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(benzimidazol-1-ylmethyl)-N-cyclopentyl-1,2-oxazole-3-carboxamide
PubChem CID42596561
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC Name5-(benzimidazol-1-ylmethyl)-N-cyclopentyl-1,2-oxazole-3-carboxamide
SMILESO=C(NC1CCCC1)c1cc(Cn2cnc3ccccc32)on1
InChIInChI=1S/C17H18N4O2/c22-17(19-12-5-1-2-6-12)15-9-13(23-20-15)10-21-11-18-14-7-3-4-8-16(14)21/h3-4,7-9,11-12H,1-2,5-6,10H2,(H,19,22)
InChIKeyFXLKWBZIFHDKIH-UHFFFAOYSA-N
XLogP2.74
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-methylbenzimidazol-2-yl)-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 137646891
N-[1-[[(2R)-1-[(E)-2-cyano-4-methylpent-2-enoyl]pyrrolidin-2-yl]methyl]benzimidazol-2-yl]-1,2-oxazole-5-carboxamide
CID 73332446
5-cyclopropyl-N-((2R,4R)-2-methyl-1-(1-methyl-1H-benzo[d]imidazole-5-carbonyl)piperidin-4-yl)isoxazole-3-carboxamide
CID 132248487
N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-1,2-oxazole-5-carboxamide
CID 134277775
N-methyl-5-[(2-methyl-1H-benzimidazol-1-yl)methyl]-N-(tetrahydro-2H-pyran-4-yl)-3-isoxazolecarboxamide
CID 26391772
1-{[3-(4-morpholinylcarbonyl)-5-isoxazolyl]methyl}-1H-benzimidazole
CID 26395930
1-[(3-{[(2R*,6S*)-2,6-dimethyl-4-morpholinyl]carbonyl}-5-isoxazolyl)methyl]-2-methyl-1H-benzimidazole
CID 26398372
1-[(3-{[(2R*,6S*)-2,6-dimethyl-4-morpholinyl]carbonyl}-5-isoxazolyl)methyl]-1H-benzimidazole
CID 42530673
5-[(2-methyl-1H-benzimidazol-1-yl)methyl]-N-(tetrahydro-3-furanyl)-3-isoxazolecarboxamide
CID 45172366
5-fluoro-2-{1-[(5-methyl-3-isoxazolyl)carbonyl]-2-piperidinyl}-1H-benzimidazole
CID 45931793
5-fluoro-2-[1-(3-isoxazolylcarbonyl)-2-piperidinyl]-1H-benzimidazole
CID 45932551
N-[1-(3-ethoxypropyl)benzimidazol-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 53542244

Frequently Asked Questions

What is the IUPAC name of 5-(benzimidazol-1-ylmethyl)-N-cyclopentyl-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(benzimidazol-1-ylmethyl)-N-cyclopentyl-1,2-oxazole-3-carboxamide (CID 42596561) is 5-(benzimidazol-1-ylmethyl)-N-cyclopentyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(benzimidazol-1-ylmethyl)-N-cyclopentyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(benzimidazol-1-ylmethyl)-N-cyclopentyl-1,2-oxazole-3-carboxamide is O=C(NC1CCCC1)c1cc(Cn2cnc3ccccc32)on1.
What is the InChIKey of 5-(benzimidazol-1-ylmethyl)-N-cyclopentyl-1,2-oxazole-3-carboxamide?
The InChIKey is FXLKWBZIFHDKIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c22-17(19-12-5-1-2-6-12)15-9-13(23-20-15)10-21-11-18-14-7-3-4-8-16(14)21/h3-4,7-9,11-12H,1-2,5-6,10H2,(H,19,22).
What are the key properties of 5-(benzimidazol-1-ylmethyl)-N-cyclopentyl-1,2-oxazole-3-carboxamide?
5-(benzimidazol-1-ylmethyl)-N-cyclopentyl-1,2-oxazole-3-carboxamide has a molecular weight of 310.36 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzimidazol-1-ylmethyl)-N-cyclopentyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 42596561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).