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

C21H17ClN2O2 — CID 55510199

IUPAC3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-(3-phenylprop-2-ynyl)propanamide
SMILESO=C(CCc1ncc(-c2ccc(Cl)cc2)o1)NCC#Cc1ccccc1
InChIInChI=1S/C21H17ClN2O2/c22-18-10-8-17(9-11-18)19-15-24-21(26-19)13-12-20(25)23-14-4-7-16-5-2-1-3-6-16/h1-3,5-6,8-11,15H,12-14H2,(H,23,25)
InChIKeyZKFKBQQHFMRMFO-UHFFFAOYSA-N
MW364.83 g/mol
LogP4.10
Rot. Bonds5

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

3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-(3-phenylprop-2-ynyl)propanamide (PubChem CID 55510199) has the molecular formula C21H17ClN2O2 and a molecular weight of 364.83 g/mol. Its IUPAC name is 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-(3-phenylprop-2-ynyl)propanamide.

Molecular Properties

Compound Name3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-(3-phenylprop-2-ynyl)propanamide
PubChem CID55510199
Molecular FormulaC21H17ClN2O2
Molecular Weight364.83 g/mol
Exact Mass364.10
IUPAC Name3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-(3-phenylprop-2-ynyl)propanamide
SMILESO=C(CCc1ncc(-c2ccc(Cl)cc2)o1)NCC#Cc1ccccc1
InChIInChI=1S/C21H17ClN2O2/c22-18-10-8-17(9-11-18)19-15-24-21(26-19)13-12-20(25)23-14-4-7-16-5-2-1-3-6-16/h1-3,5-6,8-11,15H,12-14H2,(H,23,25)
InChIKeyZKFKBQQHFMRMFO-UHFFFAOYSA-N
XLogP4.10
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.83
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-methoxypropanamide
CID 33103614
N-[(3-chlorophenyl)methyl]-3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanamide
CID 16591216
N-(3-amino-2-methylpropyl)-3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanamide
CID 119995343
3-(5-phenyl-1,3-oxazol-2-yl)-N-propylpropanamide
CID 18135781
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]propanamide
CID 87043583
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-methylphenyl)propanamide
CID 16590390
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[(1-methylbenzimidazol-2-yl)methyl]propanamide
CID 134012153
N-methyl-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 51311777
3-[2-[3-(5-phenyl-1,3-oxazol-2-yl)propanoylamino]ethyldisulfanyl]propanoic acid
CID 166422727
N-benzyl-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide
CID 108784781
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]propanamide
CID 56517601

Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-(3-phenylprop-2-ynyl)propanamide?
The IUPAC name of 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-(3-phenylprop-2-ynyl)propanamide (CID 55510199) is 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-(3-phenylprop-2-ynyl)propanamide.
What is the SMILES notation for 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-(3-phenylprop-2-ynyl)propanamide?
The canonical SMILES for 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-(3-phenylprop-2-ynyl)propanamide is O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)NCC#Cc1ccccc1.
What is the InChIKey of 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-(3-phenylprop-2-ynyl)propanamide?
The InChIKey is ZKFKBQQHFMRMFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN2O2/c22-18-10-8-17(9-11-18)19-15-24-21(26-19)13-12-20(25)23-14-4-7-16-5-2-1-3-6-16/h1-3,5-6,8-11,15H,12-14H2,(H,23,25).
What are the key properties of 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-(3-phenylprop-2-ynyl)propanamide?
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-(3-phenylprop-2-ynyl)propanamide has a molecular weight of 364.83 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-(3-phenylprop-2-ynyl)propanamide is sourced from PubChem (CID 55510199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).