3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[(1-methylbenzimidazol-2-yl)methyl]propanamide

C21H19ClN4O2 — CID 134012153

IUPAC3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[(1-methylbenzimidazol-2-yl)methyl]propanamide
SMILESCn1c(CNC(=O)CCc2ncc(-c3ccc(Cl)cc3)o2)nc2ccccc21
InChIInChI=1S/C21H19ClN4O2/c1-26-17-5-3-2-4-16(17)25-19(26)13-23-20(27)10-11-21-24-12-18(28-21)14-6-8-15(22)9-7-14/h2-9,12H,10-11,13H2,1H3,(H,23,27)
InChIKeyBMFKWLZWAIWPGA-UHFFFAOYSA-N
MW394.86 g/mol
LogP4.13
Rot. Bonds6

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

3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[(1-methylbenzimidazol-2-yl)methyl]propanamide (PubChem CID 134012153) has the molecular formula C21H19ClN4O2 and a molecular weight of 394.86 g/mol. Its IUPAC name is 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[(1-methylbenzimidazol-2-yl)methyl]propanamide.

Molecular Properties

Compound Name3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[(1-methylbenzimidazol-2-yl)methyl]propanamide
PubChem CID134012153
Molecular FormulaC21H19ClN4O2
Molecular Weight394.86 g/mol
Exact Mass394.12
IUPAC Name3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[(1-methylbenzimidazol-2-yl)methyl]propanamide
SMILESCn1c(CNC(=O)CCc2ncc(-c3ccc(Cl)cc3)o2)nc2ccccc21
InChIInChI=1S/C21H19ClN4O2/c1-26-17-5-3-2-4-16(17)25-19(26)13-23-20(27)10-11-21-24-12-18(28-21)14-6-8-15(22)9-7-14/h2-9,12H,10-11,13H2,1H3,(H,23,27)
InChIKeyBMFKWLZWAIWPGA-UHFFFAOYSA-N
XLogP4.13
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.86
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[(1-methylbenzimidazol-2-yl)methyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1-ethylbenzimidazol-2-yl)methyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 51312739
N-[(4-chlorophenyl)methyl]-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide
CID 108784775
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]propanamide
CID 87043583
N-[(3-chlorophenyl)methyl]-3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanamide
CID 16591216
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]propanamide
CID 56517601
N-[2-methyl-1-(1-methylbenzimidazol-2-yl)propyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 86207080
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-(3-phenylprop-2-ynyl)propanamide
CID 55510199
N-benzyl-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide
CID 108784781
N-(3-amino-2-methylpropyl)-3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanamide
CID 119995343
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-methoxypropanamide
CID 33103614
3-(2-bromophenyl)-N-[(1-methylbenzimidazol-2-yl)methyl]propanamide
CID 60528463
[1-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]benzimidazol-2-yl]methanol
CID 110879877

Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[(1-methylbenzimidazol-2-yl)methyl]propanamide?
The IUPAC name of 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[(1-methylbenzimidazol-2-yl)methyl]propanamide (CID 134012153) is 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[(1-methylbenzimidazol-2-yl)methyl]propanamide.
What is the SMILES notation for 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[(1-methylbenzimidazol-2-yl)methyl]propanamide?
The canonical SMILES for 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[(1-methylbenzimidazol-2-yl)methyl]propanamide is Cn1c(CNC(=O)CCc2ncc(-c3ccc(Cl)cc3)o2)nc2ccccc21.
What is the InChIKey of 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[(1-methylbenzimidazol-2-yl)methyl]propanamide?
The InChIKey is BMFKWLZWAIWPGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN4O2/c1-26-17-5-3-2-4-16(17)25-19(26)13-23-20(27)10-11-21-24-12-18(28-21)14-6-8-15(22)9-7-14/h2-9,12H,10-11,13H2,1H3,(H,23,27).
What are the key properties of 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[(1-methylbenzimidazol-2-yl)methyl]propanamide?
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[(1-methylbenzimidazol-2-yl)methyl]propanamide has a molecular weight of 394.86 g/mol, XLogP of 4.13, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[(1-methylbenzimidazol-2-yl)methyl]propanamide is sourced from PubChem (CID 134012153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).