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

C17H15N5O2S — CID 56720292

IUPAC2-(benzimidazol-1-ylmethyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-oxazole-4-carboxamide
SMILESCc1nc(CNC(=O)c2coc(Cn3cnc4ccccc43)n2)cs1
InChIInChI=1S/C17H15N5O2S/c1-11-20-12(9-25-11)6-18-17(23)14-8-24-16(21-14)7-22-10-19-13-4-2-3-5-15(13)22/h2-5,8-10H,6-7H2,1H3,(H,18,23)
InChIKeyRSJVFABWFMWFTQ-UHFFFAOYSA-N
MW353.41 g/mol
LogP2.77
Rot. Bonds5

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

2-(benzimidazol-1-ylmethyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-oxazole-4-carboxamide (PubChem CID 56720292) has the molecular formula C17H15N5O2S and a molecular weight of 353.41 g/mol. Its IUPAC name is 2-(benzimidazol-1-ylmethyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-(benzimidazol-1-ylmethyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-oxazole-4-carboxamide
PubChem CID56720292
Molecular FormulaC17H15N5O2S
Molecular Weight353.41 g/mol
Exact Mass353.09
IUPAC Name2-(benzimidazol-1-ylmethyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-oxazole-4-carboxamide
SMILESCc1nc(CNC(=O)c2coc(Cn3cnc4ccccc43)n2)cs1
InChIInChI=1S/C17H15N5O2S/c1-11-20-12(9-25-11)6-18-17(23)14-8-24-16(21-14)7-22-10-19-13-4-2-3-5-15(13)22/h2-5,8-10H,6-7H2,1H3,(H,18,23)
InChIKeyRSJVFABWFMWFTQ-UHFFFAOYSA-N
XLogP2.77
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.41
LogP ≤ 52.77
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
2-(benzimidazol-1-ylmethyl)-N-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide
CID 25286386
[(2E)-2-[[2-(4-fluoroanilino)-1,3-thiazol-4-yl]methylidene]-1,3-thiazolidin-3-yl]-(2-methyl-1,3-oxazol-4-yl)methanone
CID 100577151
2-(1H-benzimidazol-1-ylmethyl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1,3-oxazole-4-carboxamide
CID 25285477
methyl N-{[2-(1H-benzimidazol-1-ylmethyl)-1,3-oxazol-4-yl]carbonyl}-beta-alaninate
CID 25288265
2-(1H-benzimidazol-1-ylmethyl)-N-(2-methoxyethyl)-N-methyl-1,3-oxazole-4-carboxamide
CID 72859464
tert-butyl N-(1H-benzimidazol-2-ylmethyl)-N-[2-[4-(1,3-oxazol-2-ylmethylcarbamoyl)-1,3-thiazol-2-yl]ethyl]carbamate
CID 129052214
N-(6-methyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-1,3-oxazole-4-carboxamide
CID 130354579

Frequently Asked Questions

What is the IUPAC name of 2-(benzimidazol-1-ylmethyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-(benzimidazol-1-ylmethyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-oxazole-4-carboxamide (CID 56720292) is 2-(benzimidazol-1-ylmethyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-(benzimidazol-1-ylmethyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-(benzimidazol-1-ylmethyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-oxazole-4-carboxamide is Cc1nc(CNC(=O)c2coc(Cn3cnc4ccccc43)n2)cs1.
What is the InChIKey of 2-(benzimidazol-1-ylmethyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-oxazole-4-carboxamide?
The InChIKey is RSJVFABWFMWFTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O2S/c1-11-20-12(9-25-11)6-18-17(23)14-8-24-16(21-14)7-22-10-19-13-4-2-3-5-15(13)22/h2-5,8-10H,6-7H2,1H3,(H,18,23).
What are the key properties of 2-(benzimidazol-1-ylmethyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-oxazole-4-carboxamide?
2-(benzimidazol-1-ylmethyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-oxazole-4-carboxamide has a molecular weight of 353.41 g/mol, XLogP of 2.77, 5 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-methyl-1,3-thiazol-4-yl)methyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 56720292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).