2-(benzimidazol-1-ylmethyl)-N-[2-(1,3-thiazol-4-yl)ethyl]-1,3-oxazole-4-carboxamide

C17H15N5O2S — CID 26399622

IUPAC2-(benzimidazol-1-ylmethyl)-N-[2-(1,3-thiazol-4-yl)ethyl]-1,3-oxazole-4-carboxamide
SMILESO=C(NCCc1cscn1)c1coc(Cn2cnc3ccccc32)n1
InChIInChI=1S/C17H15N5O2S/c23-17(18-6-5-12-9-25-11-20-12)14-8-24-16(21-14)7-22-10-19-13-3-1-2-4-15(13)22/h1-4,8-11H,5-7H2,(H,18,23)
InChIKeyOZNDMZZCWBOEHG-UHFFFAOYSA-N
MW353.41 g/mol
LogP2.50
Rot. Bonds6

About 2-(benzimidazol-1-ylmethyl)-N-[2-(1,3-thiazol-4-yl)ethyl]-1,3-oxazole-4-carboxamide

2-(benzimidazol-1-ylmethyl)-N-[2-(1,3-thiazol-4-yl)ethyl]-1,3-oxazole-4-carboxamide (PubChem CID 26399622) has the molecular formula C17H15N5O2S and a molecular weight of 353.41 g/mol. Its IUPAC name is 2-(benzimidazol-1-ylmethyl)-N-[2-(1,3-thiazol-4-yl)ethyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-(benzimidazol-1-ylmethyl)-N-[2-(1,3-thiazol-4-yl)ethyl]-1,3-oxazole-4-carboxamide
PubChem CID26399622
Molecular FormulaC17H15N5O2S
Molecular Weight353.41 g/mol
Exact Mass353.09
IUPAC Name2-(benzimidazol-1-ylmethyl)-N-[2-(1,3-thiazol-4-yl)ethyl]-1,3-oxazole-4-carboxamide
SMILESO=C(NCCc1cscn1)c1coc(Cn2cnc3ccccc32)n1
InChIInChI=1S/C17H15N5O2S/c23-17(18-6-5-12-9-25-11-20-12)14-8-24-16(21-14)7-22-10-19-13-3-1-2-4-15(13)22/h1-4,8-11H,5-7H2,(H,18,23)
InChIKeyOZNDMZZCWBOEHG-UHFFFAOYSA-N
XLogP2.50
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.41
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[2-(1H-benzimidazol-2-ylmethylamino)ethyl]-N-(1,3-oxazol-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 129052692
2-(1H-benzimidazol-1-ylmethyl)-N-[3-(methylthio)propyl]-1,3-oxazole-4-carboxamide
CID 26393655
2-(1H-benzimidazol-1-ylmethyl)-N-(tetrahydrofuran-2-ylmethyl)-1,3-oxazole-4-carboxamide
CID 56716414
2-(1H-benzimidazol-1-ylmethyl)-N-(2-hydroxyethyl)-1,3-oxazole-4-carboxamide
CID 72863453
2-(1H-benzimidazol-1-ylmethyl)-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1,3-oxazole-4-carboxamide
CID 56717530
N-[(3-fluoro-2-pyridinyl)methyl]-2-[2-[2-[1-[2-(1-methylimidazol-2-yl)ethyl]benzimidazol-2-yl]ethylamino]ethyl]-1,3-oxazole-4-carboxamide
CID 168162724
N-[(5-fluoro-3,4-dihydropyridin-6-yl)methyl]-2-[2-[2-[1-[2-(methylamino)-2-oxoethyl]benzimidazol-2-yl]ethylamino]ethyl]-1,3-oxazole-4-carboxamide
CID 169678416
N-[(5-fluoro-3,4-dihydropyridin-6-yl)methyl]-2-[2-[2-[1-(2-methoxyethyl)benzimidazol-2-yl]ethylamino]ethyl]-1,3-oxazole-4-carboxamide
CID 169678427
N-[(5-fluoro-3,4-dihydropyridin-6-yl)methyl]-2-[2-[2-[1-[3-(methylamino)-3-oxopropyl]benzimidazol-2-yl]ethylamino]ethyl]-1,3-oxazole-4-carboxamide
CID 169678564
N-[(3-fluoro-2-pyridinyl)methyl]-2-[2-[2-[1-[2-(1,3-oxazol-2-yl)ethyl]benzimidazol-2-yl]ethylamino]ethyl]-1,3-oxazole-4-carboxamide
CID 171615241
N-[(3-fluoro-2-pyridinyl)methyl]-2-[2-[2-(1-pyrrolidin-3-ylbenzimidazol-2-yl)ethylamino]ethyl]-1,3-oxazole-4-carboxamide
CID 172207458
2-[2-[2-[2-[2-[4-[(3-Fluoro-2-pyridinyl)methylcarbamoyl]-1,3-oxazol-2-yl]ethylamino]ethyl]benzimidazol-1-yl]ethyl]-1,3-oxazole-4-carboxamide
CID 172207459

Frequently Asked Questions

What is the IUPAC name of 2-(benzimidazol-1-ylmethyl)-N-[2-(1,3-thiazol-4-yl)ethyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-(benzimidazol-1-ylmethyl)-N-[2-(1,3-thiazol-4-yl)ethyl]-1,3-oxazole-4-carboxamide (CID 26399622) is 2-(benzimidazol-1-ylmethyl)-N-[2-(1,3-thiazol-4-yl)ethyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-(benzimidazol-1-ylmethyl)-N-[2-(1,3-thiazol-4-yl)ethyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-(benzimidazol-1-ylmethyl)-N-[2-(1,3-thiazol-4-yl)ethyl]-1,3-oxazole-4-carboxamide is O=C(NCCc1cscn1)c1coc(Cn2cnc3ccccc32)n1.
What is the InChIKey of 2-(benzimidazol-1-ylmethyl)-N-[2-(1,3-thiazol-4-yl)ethyl]-1,3-oxazole-4-carboxamide?
The InChIKey is OZNDMZZCWBOEHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O2S/c23-17(18-6-5-12-9-25-11-20-12)14-8-24-16(21-14)7-22-10-19-13-3-1-2-4-15(13)22/h1-4,8-11H,5-7H2,(H,18,23).
What are the key properties of 2-(benzimidazol-1-ylmethyl)-N-[2-(1,3-thiazol-4-yl)ethyl]-1,3-oxazole-4-carboxamide?
2-(benzimidazol-1-ylmethyl)-N-[2-(1,3-thiazol-4-yl)ethyl]-1,3-oxazole-4-carboxamide has a molecular weight of 353.41 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzimidazol-1-ylmethyl)-N-[2-(1,3-thiazol-4-yl)ethyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 26399622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).