(2S)-2-(benzimidazol-1-yl)-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]propanamide

C20H18N4O2 — CID 129397081

IUPAC(2S)-2-(benzimidazol-1-yl)-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]propanamide
SMILESC[C@@H](C(=O)NCc1coc(-c2ccccc2)n1)n1cnc2ccccc21
InChIInChI=1S/C20H18N4O2/c1-14(24-13-22-17-9-5-6-10-18(17)24)19(25)21-11-16-12-26-20(23-16)15-7-3-2-4-8-15/h2-10,12-14H,11H2,1H3,(H,21,25)/t14-/m0/s1
InChIKeyRAIRACGJQLLZOR-AWEZNQCLSA-N
MW346.39 g/mol
LogP3.57
Rot. Bonds5

About (2S)-2-(benzimidazol-1-yl)-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]propanamide

(2S)-2-(benzimidazol-1-yl)-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]propanamide (PubChem CID 129397081) has the molecular formula C20H18N4O2 and a molecular weight of 346.39 g/mol. Its IUPAC name is (2S)-2-(benzimidazol-1-yl)-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(benzimidazol-1-yl)-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]propanamide
PubChem CID129397081
Molecular FormulaC20H18N4O2
Molecular Weight346.39 g/mol
Exact Mass346.14
IUPAC Name(2S)-2-(benzimidazol-1-yl)-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]propanamide
SMILESC[C@@H](C(=O)NCc1coc(-c2ccccc2)n1)n1cnc2ccccc21
InChIInChI=1S/C20H18N4O2/c1-14(24-13-22-17-9-5-6-10-18(17)24)19(25)21-11-16-12-26-20(23-16)15-7-3-2-4-8-15/h2-10,12-14H,11H2,1H3,(H,21,25)/t14-/m0/s1
InChIKeyRAIRACGJQLLZOR-AWEZNQCLSA-N
XLogP3.57
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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(2S)-2-(benzimidazol-1-yl)-N-prop-2-enylpropanamide
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N-[2-[2-(benzimidazol-1-yl)propanoylamino]ethyl]benzamide
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CID 95906882
2-(benzimidazol-1-yl)-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)propanamide
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(2R)-2-(benzimidazol-1-yl)-N-[(6-morpholin-4-ylpyrimidin-4-yl)methyl]propanamide
CID 95862882
1-(3-hydroxybutyl)-3-[(2-phenyl-1,3-oxazol-4-yl)methyl]urea
CID 111507627
3-methyl-1-(2-phenyl-1,3-oxazol-4-yl)butan-2-one
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N-benzhydryl-2-(benzimidazol-1-yl)propanamide
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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(benzimidazol-1-yl)-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]propanamide?
The IUPAC name of (2S)-2-(benzimidazol-1-yl)-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]propanamide (CID 129397081) is (2S)-2-(benzimidazol-1-yl)-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]propanamide.
What is the SMILES notation for (2S)-2-(benzimidazol-1-yl)-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]propanamide?
The canonical SMILES for (2S)-2-(benzimidazol-1-yl)-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]propanamide is C[C@@H](C(=O)NCc1coc(-c2ccccc2)n1)n1cnc2ccccc21.
What is the InChIKey of (2S)-2-(benzimidazol-1-yl)-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]propanamide?
The InChIKey is RAIRACGJQLLZOR-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H18N4O2/c1-14(24-13-22-17-9-5-6-10-18(17)24)19(25)21-11-16-12-26-20(23-16)15-7-3-2-4-8-15/h2-10,12-14H,11H2,1H3,(H,21,25)/t14-/m0/s1.
What are the key properties of (2S)-2-(benzimidazol-1-yl)-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]propanamide?
(2S)-2-(benzimidazol-1-yl)-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]propanamide has a molecular weight of 346.39 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(benzimidazol-1-yl)-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]propanamide is sourced from PubChem (CID 129397081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).