5-[(2-methylbenzimidazol-1-yl)methyl]-N-[(2S)-1-pyridin-4-ylpropan-2-yl]-1,2-oxazole-3-carboxamide

C21H21N5O2 — CID 95222262

IUPAC5-[(2-methylbenzimidazol-1-yl)methyl]-N-[(2S)-1-pyridin-4-ylpropan-2-yl]-1,2-oxazole-3-carboxamide
SMILESCc1nc2ccccc2n1Cc1cc(C(=O)N[C@@H](C)Cc2ccncc2)no1
InChIInChI=1S/C21H21N5O2/c1-14(11-16-7-9-22-10-8-16)23-21(27)19-12-17(28-25-19)13-26-15(2)24-18-5-3-4-6-20(18)26/h3-10,12,14H,11,13H2,1-2H3,(H,23,27)/t14-/m0/s1
InChIKeyCQTJSRIKSLMBSS-AWEZNQCLSA-N
MW375.43 g/mol
LogP3.14
Rot. Bonds6

About 5-[(2-methylbenzimidazol-1-yl)methyl]-N-[(2S)-1-pyridin-4-ylpropan-2-yl]-1,2-oxazole-3-carboxamide

5-[(2-methylbenzimidazol-1-yl)methyl]-N-[(2S)-1-pyridin-4-ylpropan-2-yl]-1,2-oxazole-3-carboxamide (PubChem CID 95222262) has the molecular formula C21H21N5O2 and a molecular weight of 375.43 g/mol. Its IUPAC name is 5-[(2-methylbenzimidazol-1-yl)methyl]-N-[(2S)-1-pyridin-4-ylpropan-2-yl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-[(2-methylbenzimidazol-1-yl)methyl]-N-[(2S)-1-pyridin-4-ylpropan-2-yl]-1,2-oxazole-3-carboxamide
PubChem CID95222262
Molecular FormulaC21H21N5O2
Molecular Weight375.43 g/mol
Exact Mass375.17
IUPAC Name5-[(2-methylbenzimidazol-1-yl)methyl]-N-[(2S)-1-pyridin-4-ylpropan-2-yl]-1,2-oxazole-3-carboxamide
SMILESCc1nc2ccccc2n1Cc1cc(C(=O)N[C@@H](C)Cc2ccncc2)no1
InChIInChI=1S/C21H21N5O2/c1-14(11-16-7-9-22-10-8-16)23-21(27)19-12-17(28-25-19)13-26-15(2)24-18-5-3-4-6-20(18)26/h3-10,12,14H,11,13H2,1-2H3,(H,23,27)/t14-/m0/s1
InChIKeyCQTJSRIKSLMBSS-AWEZNQCLSA-N
XLogP3.14
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(2-methylbenzimidazol-1-yl)methyl]-N-(1,2-oxazol-3-ylmethyl)-1,2-oxazole-3-carboxamide
CID 42595216
5-methyl-N-(1-phenylpropan-2-yl)-1,2-oxazole-3-carboxamide
CID 176958817
[(1S,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-[5-[(2-methylbenzimidazol-1-yl)methyl]-1,2-oxazol-3-yl]methanone
CID 45246459
5-[(3-methyl-2-oxoquinoxalin-1-yl)methyl]-1,2-oxazole-3-carboxylic acid
CID 62374387
5-[(2,6-dimethylphenoxy)methyl]-N-[(2S)-1-pyridin-3-ylpropan-2-yl]-1,2-oxazole-3-carboxamide
CID 42291545
5-[(2,6-difluorophenoxy)methyl]-N-[(2S)-1-pyridin-3-ylpropan-2-yl]-1,2-oxazole-3-carboxamide
CID 42465328
N-[1-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]ethyl]pyridine-4-carboxamide
CID 16965407
N-[(2S)-1-pyridin-3-ylpropan-2-yl]-5-(quinolin-6-yloxymethyl)-1,2-oxazole-3-carboxamide
CID 42593563
5-[(3,4-dimethylphenoxy)methyl]-N-(1-pyridin-3-ylpropan-2-yl)-1,2-oxazole-3-carboxamide
CID 24790241
5-[(2-methylbenzimidazol-1-yl)methyl]-3-propan-2-yl-1,2,4-oxadiazole
CID 112724026
3-methyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]-1,2-oxazole-5-carboxamide
CID 46519962
5-[(3-methoxyphenoxy)methyl]-N-(1-pyridin-3-ylpropan-2-yl)-1,2-oxazole-3-carboxamide
CID 45202237

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methylbenzimidazol-1-yl)methyl]-N-[(2S)-1-pyridin-4-ylpropan-2-yl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-[(2-methylbenzimidazol-1-yl)methyl]-N-[(2S)-1-pyridin-4-ylpropan-2-yl]-1,2-oxazole-3-carboxamide (CID 95222262) is 5-[(2-methylbenzimidazol-1-yl)methyl]-N-[(2S)-1-pyridin-4-ylpropan-2-yl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-[(2-methylbenzimidazol-1-yl)methyl]-N-[(2S)-1-pyridin-4-ylpropan-2-yl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-[(2-methylbenzimidazol-1-yl)methyl]-N-[(2S)-1-pyridin-4-ylpropan-2-yl]-1,2-oxazole-3-carboxamide is Cc1nc2ccccc2n1Cc1cc(C(=O)N[C@@H](C)Cc2ccncc2)no1.
What is the InChIKey of 5-[(2-methylbenzimidazol-1-yl)methyl]-N-[(2S)-1-pyridin-4-ylpropan-2-yl]-1,2-oxazole-3-carboxamide?
The InChIKey is CQTJSRIKSLMBSS-AWEZNQCLSA-N. The full InChI is InChI=1S/C21H21N5O2/c1-14(11-16-7-9-22-10-8-16)23-21(27)19-12-17(28-25-19)13-26-15(2)24-18-5-3-4-6-20(18)26/h3-10,12,14H,11,13H2,1-2H3,(H,23,27)/t14-/m0/s1.
What are the key properties of 5-[(2-methylbenzimidazol-1-yl)methyl]-N-[(2S)-1-pyridin-4-ylpropan-2-yl]-1,2-oxazole-3-carboxamide?
5-[(2-methylbenzimidazol-1-yl)methyl]-N-[(2S)-1-pyridin-4-ylpropan-2-yl]-1,2-oxazole-3-carboxamide has a molecular weight of 375.43 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methylbenzimidazol-1-yl)methyl]-N-[(2S)-1-pyridin-4-ylpropan-2-yl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 95222262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).