2-(benzimidazol-1-yl)-N-methyl-N-[(1S)-1-(1,2-oxazol-3-yl)ethyl]acetamide

C15H16N4O2 — CID 99952062

IUPAC2-(benzimidazol-1-yl)-N-methyl-N-[(1S)-1-(1,2-oxazol-3-yl)ethyl]acetamide
SMILESC[C@@H](c1ccon1)N(C)C(=O)Cn1cnc2ccccc21
InChIInChI=1S/C15H16N4O2/c1-11(12-7-8-21-17-12)18(2)15(20)9-19-10-16-13-5-3-4-6-14(13)19/h3-8,10-11H,9H2,1-2H3/t11-/m0/s1
InChIKeyGAWLFIZMTNIJCG-NSHDSACASA-N
MW284.32 g/mol
LogP2.24
Rot. Bonds4

About 2-(benzimidazol-1-yl)-N-methyl-N-[(1S)-1-(1,2-oxazol-3-yl)ethyl]acetamide

2-(benzimidazol-1-yl)-N-methyl-N-[(1S)-1-(1,2-oxazol-3-yl)ethyl]acetamide (PubChem CID 99952062) has the molecular formula C15H16N4O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is 2-(benzimidazol-1-yl)-N-methyl-N-[(1S)-1-(1,2-oxazol-3-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(benzimidazol-1-yl)-N-methyl-N-[(1S)-1-(1,2-oxazol-3-yl)ethyl]acetamide
PubChem CID99952062
Molecular FormulaC15H16N4O2
Molecular Weight284.32 g/mol
Exact Mass284.13
IUPAC Name2-(benzimidazol-1-yl)-N-methyl-N-[(1S)-1-(1,2-oxazol-3-yl)ethyl]acetamide
SMILESC[C@@H](c1ccon1)N(C)C(=O)Cn1cnc2ccccc21
InChIInChI=1S/C15H16N4O2/c1-11(12-7-8-21-17-12)18(2)15(20)9-19-10-16-13-5-3-4-6-14(13)19/h3-8,10-11H,9H2,1-2H3/t11-/m0/s1
InChIKeyGAWLFIZMTNIJCG-NSHDSACASA-N
XLogP2.24
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzhydryl-2-(benzimidazol-1-yl)-N-methylacetamide
CID 166182166
N-methyl-N-[(1R)-1-(1,2-oxazol-3-yl)ethyl]-2-(3-oxo-1,2-benzothiazol-2-yl)acetamide
CID 97274468
N-(3-aminopropyl)-2-(benzimidazol-1-yl)-N-methylacetamide
CID 43253838
2-(benzimidazol-1-yl)-N-benzyl-N-propan-2-ylacetamide
CID 16994989
N-methyl-N-[1-(1,2-oxazol-3-yl)ethyl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide
CID 72895726
2-(benzimidazol-1-yl)-N-[(2-methoxyphenyl)methyl]-N-methylacetamide
CID 47006781
2-(benzimidazol-1-yl)-N-[2-(3-methylbutan-2-yl)pyrazol-3-yl]acetamide
CID 45246652
1-[2-[methyl-[1-(1,2-oxazol-3-yl)ethyl]amino]-2-oxoethyl]piperidine-4-carboxamide
CID 70739394
5-(benzimidazol-1-ylmethyl)-N-methyl-N-[(1R)-1-pyrimidin-4-ylethyl]-1,2-oxazole-3-carboxamide
CID 95194034
2-(benzimidazol-1-yl)-N,N-dicyclohexylacetamide
CID 856407
N-[1-(2-methoxyphenyl)ethyl]-N-methyl-2-(4-oxoquinazolin-3-yl)acetamide
CID 56745247
2-(benzimidazol-1-yl)-N-benzyl-N-tert-butylacetamide
CID 78761759

Frequently Asked Questions

What is the IUPAC name of 2-(benzimidazol-1-yl)-N-methyl-N-[(1S)-1-(1,2-oxazol-3-yl)ethyl]acetamide?
The IUPAC name of 2-(benzimidazol-1-yl)-N-methyl-N-[(1S)-1-(1,2-oxazol-3-yl)ethyl]acetamide (CID 99952062) is 2-(benzimidazol-1-yl)-N-methyl-N-[(1S)-1-(1,2-oxazol-3-yl)ethyl]acetamide.
What is the SMILES notation for 2-(benzimidazol-1-yl)-N-methyl-N-[(1S)-1-(1,2-oxazol-3-yl)ethyl]acetamide?
The canonical SMILES for 2-(benzimidazol-1-yl)-N-methyl-N-[(1S)-1-(1,2-oxazol-3-yl)ethyl]acetamide is C[C@@H](c1ccon1)N(C)C(=O)Cn1cnc2ccccc21.
What is the InChIKey of 2-(benzimidazol-1-yl)-N-methyl-N-[(1S)-1-(1,2-oxazol-3-yl)ethyl]acetamide?
The InChIKey is GAWLFIZMTNIJCG-NSHDSACASA-N. The full InChI is InChI=1S/C15H16N4O2/c1-11(12-7-8-21-17-12)18(2)15(20)9-19-10-16-13-5-3-4-6-14(13)19/h3-8,10-11H,9H2,1-2H3/t11-/m0/s1.
What are the key properties of 2-(benzimidazol-1-yl)-N-methyl-N-[(1S)-1-(1,2-oxazol-3-yl)ethyl]acetamide?
2-(benzimidazol-1-yl)-N-methyl-N-[(1S)-1-(1,2-oxazol-3-yl)ethyl]acetamide has a molecular weight of 284.32 g/mol, XLogP of 2.24, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzimidazol-1-yl)-N-methyl-N-[(1S)-1-(1,2-oxazol-3-yl)ethyl]acetamide is sourced from PubChem (CID 99952062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).