2-(benzimidazol-1-ylmethyl)-N-(1-pyridin-4-ylpropyl)-1,3-oxazole-4-carboxamide

C20H19N5O2 — CID 45202288

IUPAC2-(benzimidazol-1-ylmethyl)-N-(1-pyridin-4-ylpropyl)-1,3-oxazole-4-carboxamide
SMILESCCC(NC(=O)c1coc(Cn2cnc3ccccc32)n1)c1ccncc1
InChIInChI=1S/C20H19N5O2/c1-2-15(14-7-9-21-10-8-14)24-20(26)17-12-27-19(23-17)11-25-13-22-16-5-3-4-6-18(16)25/h3-10,12-13,15H,2,11H2,1H3,(H,24,26)
InChIKeyQKSCLMFNGFFKJA-UHFFFAOYSA-N
MW361.40 g/mol
LogP3.35
Rot. Bonds6

About 2-(benzimidazol-1-ylmethyl)-N-(1-pyridin-4-ylpropyl)-1,3-oxazole-4-carboxamide

2-(benzimidazol-1-ylmethyl)-N-(1-pyridin-4-ylpropyl)-1,3-oxazole-4-carboxamide (PubChem CID 45202288) has the molecular formula C20H19N5O2 and a molecular weight of 361.40 g/mol. Its IUPAC name is 2-(benzimidazol-1-ylmethyl)-N-(1-pyridin-4-ylpropyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-(benzimidazol-1-ylmethyl)-N-(1-pyridin-4-ylpropyl)-1,3-oxazole-4-carboxamide
PubChem CID45202288
Molecular FormulaC20H19N5O2
Molecular Weight361.40 g/mol
Exact Mass361.15
IUPAC Name2-(benzimidazol-1-ylmethyl)-N-(1-pyridin-4-ylpropyl)-1,3-oxazole-4-carboxamide
SMILESCCC(NC(=O)c1coc(Cn2cnc3ccccc32)n1)c1ccncc1
InChIInChI=1S/C20H19N5O2/c1-2-15(14-7-9-21-10-8-14)24-20(26)17-12-27-19(23-17)11-25-13-22-16-5-3-4-6-18(16)25/h3-10,12-13,15H,2,11H2,1H3,(H,24,26)
InChIKeyQKSCLMFNGFFKJA-UHFFFAOYSA-N
XLogP3.35
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(benzimidazol-1-ylmethyl)-N-[(1S)-1-(4-methylphenyl)propyl]-1,3-oxazole-4-carboxamide
CID 42198041
2-(benzimidazol-1-ylmethyl)-N-(1-thiophen-3-ylpropan-2-yl)-1,3-oxazole-4-carboxamide
CID 45219502
2-(benzimidazol-1-ylmethyl)-N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-1,3-oxazole-4-carboxamide
CID 42396338
2-(benzimidazol-1-ylmethyl)-N-(2-methoxyethyl)-N-methyl-1,3-oxazole-4-carboxamide
CID 72859464
[2-(benzimidazol-1-ylmethyl)-1,3-oxazol-4-yl]-[(2R)-2-phenylazetidin-1-yl]methanone
CID 95225726
6-amino-N-[(1S)-1-pyridin-4-ylpropyl]pyridine-2-carboxamide
CID 99931443
methyl (2S,3S)-2-(benzimidazol-1-ylmethyl)-3-hydroxy-3-pyridin-4-ylpropanoate
CID 25343352
1-[(4-methylphenyl)methyl]-N-[(1S)-1-phenylpropyl]benzimidazole-5-carboxamide
CID 90380118
2-methyl-N-(1-pyridin-4-ylpropyl)-1,3-thiazole-4-carboxamide
CID 131909576
2-methyl-N-(1-pyridin-4-ylpropyl)benzamide
CID 122142222
5-(benzimidazol-1-ylmethyl)-N-[(1S)-2-hydroxy-1-pyridin-3-ylethyl]-1H-pyrazole-3-carboxamide
CID 95213113
N-(1-phenylpropyl)pyridine-2-carboxamide
CID 5305559

Frequently Asked Questions

What is the IUPAC name of 2-(benzimidazol-1-ylmethyl)-N-(1-pyridin-4-ylpropyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-(benzimidazol-1-ylmethyl)-N-(1-pyridin-4-ylpropyl)-1,3-oxazole-4-carboxamide (CID 45202288) is 2-(benzimidazol-1-ylmethyl)-N-(1-pyridin-4-ylpropyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-(benzimidazol-1-ylmethyl)-N-(1-pyridin-4-ylpropyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-(benzimidazol-1-ylmethyl)-N-(1-pyridin-4-ylpropyl)-1,3-oxazole-4-carboxamide is CCC(NC(=O)c1coc(Cn2cnc3ccccc32)n1)c1ccncc1.
What is the InChIKey of 2-(benzimidazol-1-ylmethyl)-N-(1-pyridin-4-ylpropyl)-1,3-oxazole-4-carboxamide?
The InChIKey is QKSCLMFNGFFKJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O2/c1-2-15(14-7-9-21-10-8-14)24-20(26)17-12-27-19(23-17)11-25-13-22-16-5-3-4-6-18(16)25/h3-10,12-13,15H,2,11H2,1H3,(H,24,26).
What are the key properties of 2-(benzimidazol-1-ylmethyl)-N-(1-pyridin-4-ylpropyl)-1,3-oxazole-4-carboxamide?
2-(benzimidazol-1-ylmethyl)-N-(1-pyridin-4-ylpropyl)-1,3-oxazole-4-carboxamide has a molecular weight of 361.40 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzimidazol-1-ylmethyl)-N-(1-pyridin-4-ylpropyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 45202288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).