2-(benzimidazol-1-ylmethyl)-N-(1-thiophen-3-ylpropan-2-yl)-1,3-oxazole-4-carboxamide

C19H18N4O2S — CID 45219502

IUPAC2-(benzimidazol-1-ylmethyl)-N-(1-thiophen-3-ylpropan-2-yl)-1,3-oxazole-4-carboxamide
SMILESCC(Cc1ccsc1)NC(=O)c1coc(Cn2cnc3ccccc32)n1
InChIInChI=1S/C19H18N4O2S/c1-13(8-14-6-7-26-11-14)21-19(24)16-10-25-18(22-16)9-23-12-20-15-4-2-3-5-17(15)23/h2-7,10-13H,8-9H2,1H3,(H,21,24)
InChIKeyDQOPACMZRIVSOJ-UHFFFAOYSA-N
MW366.45 g/mol
LogP3.50
Rot. Bonds6

About 2-(benzimidazol-1-ylmethyl)-N-(1-thiophen-3-ylpropan-2-yl)-1,3-oxazole-4-carboxamide

2-(benzimidazol-1-ylmethyl)-N-(1-thiophen-3-ylpropan-2-yl)-1,3-oxazole-4-carboxamide (PubChem CID 45219502) has the molecular formula C19H18N4O2S and a molecular weight of 366.45 g/mol. Its IUPAC name is 2-(benzimidazol-1-ylmethyl)-N-(1-thiophen-3-ylpropan-2-yl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-(benzimidazol-1-ylmethyl)-N-(1-thiophen-3-ylpropan-2-yl)-1,3-oxazole-4-carboxamide
PubChem CID45219502
Molecular FormulaC19H18N4O2S
Molecular Weight366.45 g/mol
Exact Mass366.12
IUPAC Name2-(benzimidazol-1-ylmethyl)-N-(1-thiophen-3-ylpropan-2-yl)-1,3-oxazole-4-carboxamide
SMILESCC(Cc1ccsc1)NC(=O)c1coc(Cn2cnc3ccccc32)n1
InChIInChI=1S/C19H18N4O2S/c1-13(8-14-6-7-26-11-14)21-19(24)16-10-25-18(22-16)9-23-12-20-15-4-2-3-5-17(15)23/h2-7,10-13H,8-9H2,1H3,(H,21,24)
InChIKeyDQOPACMZRIVSOJ-UHFFFAOYSA-N
XLogP3.50
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.45
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(benzimidazol-1-ylmethyl)-N-(1-pyridin-4-ylpropyl)-1,3-oxazole-4-carboxamide
CID 45202288
2-(benzimidazol-1-ylmethyl)-N-[(1S)-1-(4-methylphenyl)propyl]-1,3-oxazole-4-carboxamide
CID 42198041
5-(indol-1-ylmethyl)-N-(1-thiophen-3-ylpropan-2-yl)-1H-pyrazole-3-carboxamide
CID 56748764
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
6-bromo-N-(1-thiophen-3-ylpropan-2-yl)pyridine-2-carboxamide
CID 103889839
4-amino-N-(1-thiophen-3-ylpropan-2-yl)pyridine-2-carboxamide
CID 62186482
5-(methylamino)-N-(1-thiophen-3-ylpropan-2-yl)pyrazine-2-carboxamide
CID 107375175
6-(1-thiophen-3-ylpropan-2-ylcarbamoyl)pyridine-3-carboxylic acid
CID 61151193
2-(1-thiophen-3-ylpropan-2-ylcarbamoyl)benzoic acid
CID 61475052
[2-(benzimidazol-1-ylmethyl)-1,3-oxazol-4-yl]-[(2R)-2-phenylazetidin-1-yl]methanone
CID 95225726
5-(benzimidazol-1-ylmethyl)-N-[(1R)-1-thiophen-2-ylethyl]-1H-pyrazole-3-carboxamide
CID 42520590

Frequently Asked Questions

What is the IUPAC name of 2-(benzimidazol-1-ylmethyl)-N-(1-thiophen-3-ylpropan-2-yl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-(benzimidazol-1-ylmethyl)-N-(1-thiophen-3-ylpropan-2-yl)-1,3-oxazole-4-carboxamide (CID 45219502) is 2-(benzimidazol-1-ylmethyl)-N-(1-thiophen-3-ylpropan-2-yl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-(benzimidazol-1-ylmethyl)-N-(1-thiophen-3-ylpropan-2-yl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-(benzimidazol-1-ylmethyl)-N-(1-thiophen-3-ylpropan-2-yl)-1,3-oxazole-4-carboxamide is CC(Cc1ccsc1)NC(=O)c1coc(Cn2cnc3ccccc32)n1.
What is the InChIKey of 2-(benzimidazol-1-ylmethyl)-N-(1-thiophen-3-ylpropan-2-yl)-1,3-oxazole-4-carboxamide?
The InChIKey is DQOPACMZRIVSOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2S/c1-13(8-14-6-7-26-11-14)21-19(24)16-10-25-18(22-16)9-23-12-20-15-4-2-3-5-17(15)23/h2-7,10-13H,8-9H2,1H3,(H,21,24).
What are the key properties of 2-(benzimidazol-1-ylmethyl)-N-(1-thiophen-3-ylpropan-2-yl)-1,3-oxazole-4-carboxamide?
2-(benzimidazol-1-ylmethyl)-N-(1-thiophen-3-ylpropan-2-yl)-1,3-oxazole-4-carboxamide has a molecular weight of 366.45 g/mol, XLogP of 3.50, 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-thiophen-3-ylpropan-2-yl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 45219502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).