3-methyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]-1,2-oxazole-5-carboxamide

C16H18N4O2 — CID 46519962

IUPAC3-methyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)NCCCn2c(C)nc3ccccc32)on1
InChIInChI=1S/C16H18N4O2/c1-11-10-15(22-19-11)16(21)17-8-5-9-20-12(2)18-13-6-3-4-7-14(13)20/h3-4,6-7,10H,5,8-9H2,1-2H3,(H,17,21)
InChIKeyIBYXHGAKUXPQBP-UHFFFAOYSA-N
MW298.35 g/mol
LogP2.46
Rot. Bonds5

About 3-methyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]-1,2-oxazole-5-carboxamide

3-methyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]-1,2-oxazole-5-carboxamide (PubChem CID 46519962) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is 3-methyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]-1,2-oxazole-5-carboxamide
PubChem CID46519962
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC Name3-methyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)NCCCn2c(C)nc3ccccc32)on1
InChIInChI=1S/C16H18N4O2/c1-11-10-15(22-19-11)16(21)17-8-5-9-20-12(2)18-13-6-3-4-7-14(13)20/h3-4,6-7,10H,5,8-9H2,1-2H3,(H,17,21)
InChIKeyIBYXHGAKUXPQBP-UHFFFAOYSA-N
XLogP2.46
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(furan-2-yl)-N-[3-(2-methylbenzimidazol-1-yl)propyl]-1,2-oxazole-3-carboxamide
CID 110309358
N-[3-(2-methylbenzimidazol-1-yl)propyl]-2-oxochromene-3-carboxamide
CID 46514997
4,5-dichloro-N-[3-(2-methylbenzimidazol-1-yl)propyl]-1H-pyrrole-2-carboxamide
CID 78839389
1-benzyl-2,5-dimethyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]pyrrole-3-carboxamide
CID 55451237
5-(1,3-benzothiazol-2-yl)-N-[3-(2-methylbenzimidazol-1-yl)propyl]furan-2-carboxamide
CID 112767789
4-acetamido-N-[3-(2-methylbenzimidazol-1-yl)propyl]benzamide
CID 134036907
N-[3-(2-methylbenzimidazol-1-yl)propyl]-2-thiophen-2-ylacetamide
CID 51711691
2-(methylamino)-N-[3-(2-methylbenzimidazol-1-yl)propyl]acetamide;hydrochloride
CID 120703538
ethyl 2-[3-(2-methylbenzimidazol-1-yl)propylamino]-2-oxoacetate
CID 110292029
5-ethyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]-1H-pyrazole-3-carboxamide
CID 78862508
3-bromo-2-hydroxy-5-methyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]benzamide
CID 51122866
N-[3-[[N'-methyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]carbamimidoyl]amino]propyl]benzamide
CID 111353072

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-methyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]-1,2-oxazole-5-carboxamide (CID 46519962) is 3-methyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-methyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-methyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]-1,2-oxazole-5-carboxamide is Cc1cc(C(=O)NCCCn2c(C)nc3ccccc32)on1.
What is the InChIKey of 3-methyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]-1,2-oxazole-5-carboxamide?
The InChIKey is IBYXHGAKUXPQBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2/c1-11-10-15(22-19-11)16(21)17-8-5-9-20-12(2)18-13-6-3-4-7-14(13)20/h3-4,6-7,10H,5,8-9H2,1-2H3,(H,17,21).
What are the key properties of 3-methyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]-1,2-oxazole-5-carboxamide?
3-methyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]-1,2-oxazole-5-carboxamide has a molecular weight of 298.35 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 46519962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).