3-[2-(benzimidazol-1-yl)-4-(4-chlorophenyl)-1,3-oxazol-5-yl]propanamide

C19H15ClN4O2 — CID 21088545

IUPAC3-[2-(benzimidazol-1-yl)-4-(4-chlorophenyl)-1,3-oxazol-5-yl]propanamide
SMILESNC(=O)CCc1oc(-n2cnc3ccccc32)nc1-c1ccc(Cl)cc1
InChIInChI=1S/C19H15ClN4O2/c20-13-7-5-12(6-8-13)18-16(9-10-17(21)25)26-19(23-18)24-11-22-14-3-1-2-4-15(14)24/h1-8,11H,9-10H2,(H2,21,25)
InChIKeyGWXBZFJXIMPCRI-UHFFFAOYSA-N
MW366.81 g/mol
LogP3.75
Rot. Bonds5

About 3-[2-(benzimidazol-1-yl)-4-(4-chlorophenyl)-1,3-oxazol-5-yl]propanamide

3-[2-(benzimidazol-1-yl)-4-(4-chlorophenyl)-1,3-oxazol-5-yl]propanamide (PubChem CID 21088545) has the molecular formula C19H15ClN4O2 and a molecular weight of 366.81 g/mol. Its IUPAC name is 3-[2-(benzimidazol-1-yl)-4-(4-chlorophenyl)-1,3-oxazol-5-yl]propanamide.

Molecular Properties

Compound Name3-[2-(benzimidazol-1-yl)-4-(4-chlorophenyl)-1,3-oxazol-5-yl]propanamide
PubChem CID21088545
Molecular FormulaC19H15ClN4O2
Molecular Weight366.81 g/mol
Exact Mass366.09
IUPAC Name3-[2-(benzimidazol-1-yl)-4-(4-chlorophenyl)-1,3-oxazol-5-yl]propanamide
SMILESNC(=O)CCc1oc(-n2cnc3ccccc32)nc1-c1ccc(Cl)cc1
InChIInChI=1S/C19H15ClN4O2/c20-13-7-5-12(6-8-13)18-16(9-10-17(21)25)26-19(23-18)24-11-22-14-3-1-2-4-15(14)24/h1-8,11H,9-10H2,(H2,21,25)
InChIKeyGWXBZFJXIMPCRI-UHFFFAOYSA-N
XLogP3.75
TPSA86.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.81
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-(benzimidazol-1-yl)-4-(4-chlorophenyl)-1,3-oxazol-5-yl]-N-[2-(benzylamino)-2-oxoethyl]propanamide
CID 21088459
3-[4-(4-chlorophenyl)-2-(4,5-dimethylimidazol-1-yl)-1,3-oxazol-5-yl]propanamide
CID 21088632
3-[2-(benzimidazol-1-yl)-4-(4-chlorophenyl)-1,3-oxazol-5-yl]-N-(pyridin-2-ylmethyl)propanamide
CID 21088494
3-[2-(benzimidazol-1-yl)-4-(4-chlorophenyl)-1,3-oxazol-5-yl]-N-[2-(dimethylamino)ethyl]propanamide
CID 71214458
3-[2-(benzimidazol-1-yl)-4-(4-chlorophenyl)-1,3-oxazol-5-yl]-N-[(2,5-dichlorophenyl)methyl]propanamide
CID 21088479
3-[2-(benzimidazol-1-yl)-4-(4-chlorophenyl)-1,3-oxazol-5-yl]-N-piperidin-4-ylpropanamide
CID 71214447
3-[2-(benzimidazol-1-yl)-4-(4-chlorophenyl)-1,3-oxazol-5-yl]-1-[4-(methylamino)piperidin-1-yl]propan-1-one
CID 71214389
3-[2-(benzimidazol-1-yl)-4-(4-chlorophenyl)-1,3-oxazol-5-yl]-N-[(3-chloro-4-fluorophenyl)methyl]propanamide
CID 21088503
methyl 4-[3-[2-(benzimidazol-1-yl)-4-(4-chlorophenyl)-1,3-oxazol-5-yl]propanoylamino]benzoate
CID 21088528
3-[2-(benzimidazol-1-yl)-4-(4-chlorophenyl)-1,3-oxazol-5-yl]-N-[(2,4-difluorophenyl)methyl]propanamide
CID 21088477
2-[2-[4-[2-(benzimidazol-1-yl)-4-(4-chlorophenyl)-1,3-oxazol-5-yl]butanoylamino]phenyl]propan-2-ylphosphonic acid
CID 21088394
3-[4-(4-chlorophenyl)-2-morpholin-4-yl-1,3-oxazol-5-yl]propanamide
CID 21088642

Frequently Asked Questions

What is the IUPAC name of 3-[2-(benzimidazol-1-yl)-4-(4-chlorophenyl)-1,3-oxazol-5-yl]propanamide?
The IUPAC name of 3-[2-(benzimidazol-1-yl)-4-(4-chlorophenyl)-1,3-oxazol-5-yl]propanamide (CID 21088545) is 3-[2-(benzimidazol-1-yl)-4-(4-chlorophenyl)-1,3-oxazol-5-yl]propanamide.
What is the SMILES notation for 3-[2-(benzimidazol-1-yl)-4-(4-chlorophenyl)-1,3-oxazol-5-yl]propanamide?
The canonical SMILES for 3-[2-(benzimidazol-1-yl)-4-(4-chlorophenyl)-1,3-oxazol-5-yl]propanamide is NC(=O)CCc1oc(-n2cnc3ccccc32)nc1-c1ccc(Cl)cc1.
What is the InChIKey of 3-[2-(benzimidazol-1-yl)-4-(4-chlorophenyl)-1,3-oxazol-5-yl]propanamide?
The InChIKey is GWXBZFJXIMPCRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN4O2/c20-13-7-5-12(6-8-13)18-16(9-10-17(21)25)26-19(23-18)24-11-22-14-3-1-2-4-15(14)24/h1-8,11H,9-10H2,(H2,21,25).
What are the key properties of 3-[2-(benzimidazol-1-yl)-4-(4-chlorophenyl)-1,3-oxazol-5-yl]propanamide?
3-[2-(benzimidazol-1-yl)-4-(4-chlorophenyl)-1,3-oxazol-5-yl]propanamide has a molecular weight of 366.81 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(benzimidazol-1-yl)-4-(4-chlorophenyl)-1,3-oxazol-5-yl]propanamide is sourced from PubChem (CID 21088545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).