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3-methyl-N-[3-(5-propanoyl-2-pyridin-2-ylbenzimidazol-1-yl)cyclohexyl]-1,2-oxazole-5-carboxamide

C26H27N5O3 — CID 167635051

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC3-methyl-N-[3-(5-propanoyl-2-pyridin-2-ylbenzimidazol-1-yl)cyclohexyl]-1,2-oxazole-5-carboxamide
SMILESCCC(=O)c1ccc2c(c1)nc(-c1ccccn1)n2C1CCCC(NC(=O)c2cc(C)no2)C1
InChIInChI=1S/C26H27N5O3/c1-3-23(32)17-10-11-22-21(14-17)29-25(20-9-4-5-12-27-20)31(22)19-8-6-7-18(15-19)28-26(33)24-13-16(2)30-34-24/h4-5,9-14,18-19H,3,6-8,15H2,1-2H3,(H,28,33)
InChIKeyUUXLUAPZYQPLIE-UHFFFAOYSA-N
MW457.53 g/mol
LogP4.90
Rot. Bonds6

About 3-methyl-N-[3-(5-propanoyl-2-pyridin-2-ylbenzimidazol-1-yl)cyclohexyl]-1,2-oxazole-5-carboxamide

3-methyl-N-[3-(5-propanoyl-2-pyridin-2-ylbenzimidazol-1-yl)cyclohexyl]-1,2-oxazole-5-carboxamide (PubChem CID 167635051) has the molecular formula C26H27N5O3 and a molecular weight of 457.53 g/mol. Its IUPAC name is 3-methyl-N-[3-(5-propanoyl-2-pyridin-2-ylbenzimidazol-1-yl)cyclohexyl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[3-(5-propanoyl-2-pyridin-2-ylbenzimidazol-1-yl)cyclohexyl]-1,2-oxazole-5-carboxamide
PubChem CID167635051
Molecular FormulaC26H27N5O3
Molecular Weight457.53 g/mol
Exact Mass457.21
IUPAC Name3-methyl-N-[3-(5-propanoyl-2-pyridin-2-ylbenzimidazol-1-yl)cyclohexyl]-1,2-oxazole-5-carboxamide
SMILESCCC(=O)c1ccc2c(c1)nc(-c1ccccn1)n2C1CCCC(NC(=O)c2cc(C)no2)C1
InChIInChI=1S/C26H27N5O3/c1-3-23(32)17-10-11-22-21(14-17)29-25(20-9-4-5-12-27-20)31(22)19-8-6-7-18(15-19)28-26(33)24-13-16(2)30-34-24/h4-5,9-14,18-19H,3,6-8,15H2,1-2H3,(H,28,33)
InChIKeyUUXLUAPZYQPLIE-UHFFFAOYSA-N
XLogP4.90
TPSA102.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.53
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[3-(5-propanoyl-2-pyridin-2-ylbenzimidazol-1-yl)cyclohexyl]-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-methyl-N-[3-(5-propanoyl-2-pyridin-2-ylbenzimidazol-1-yl)cyclohexyl]-1,2-oxazole-5-carboxamide (CID 167635051) is 3-methyl-N-[3-(5-propanoyl-2-pyridin-2-ylbenzimidazol-1-yl)cyclohexyl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-methyl-N-[3-(5-propanoyl-2-pyridin-2-ylbenzimidazol-1-yl)cyclohexyl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-methyl-N-[3-(5-propanoyl-2-pyridin-2-ylbenzimidazol-1-yl)cyclohexyl]-1,2-oxazole-5-carboxamide is CCC(=O)c1ccc2c(c1)nc(-c1ccccn1)n2C1CCCC(NC(=O)c2cc(C)no2)C1.
What is the InChIKey of 3-methyl-N-[3-(5-propanoyl-2-pyridin-2-ylbenzimidazol-1-yl)cyclohexyl]-1,2-oxazole-5-carboxamide?
The InChIKey is UUXLUAPZYQPLIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O3/c1-3-23(32)17-10-11-22-21(14-17)29-25(20-9-4-5-12-27-20)31(22)19-8-6-7-18(15-19)28-26(33)24-13-16(2)30-34-24/h4-5,9-14,18-19H,3,6-8,15H2,1-2H3,(H,28,33).
What are the key properties of 3-methyl-N-[3-(5-propanoyl-2-pyridin-2-ylbenzimidazol-1-yl)cyclohexyl]-1,2-oxazole-5-carboxamide?
3-methyl-N-[3-(5-propanoyl-2-pyridin-2-ylbenzimidazol-1-yl)cyclohexyl]-1,2-oxazole-5-carboxamide has a molecular weight of 457.53 g/mol, XLogP of 4.90, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[3-(5-propanoyl-2-pyridin-2-ylbenzimidazol-1-yl)cyclohexyl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 167635051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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