3-[5-(2-bromophenyl)-1,3-oxazol-2-yl]-N-methyl-N-piperidin-4-ylpropanamide

C18H22BrN3O2 — CID 119442297

IUPAC3-[5-(2-bromophenyl)-1,3-oxazol-2-yl]-N-methyl-N-piperidin-4-ylpropanamide
SMILESCN(C(=O)CCc1ncc(-c2ccccc2Br)o1)C1CCNCC1
InChIInChI=1S/C18H22BrN3O2/c1-22(13-8-10-20-11-9-13)18(23)7-6-17-21-12-16(24-17)14-4-2-3-5-15(14)19/h2-5,12-13,20H,6-11H2,1H3
InChIKeyRPEZSCSPPHGHTH-UHFFFAOYSA-N
MW392.30 g/mol
LogP3.25
Rot. Bonds5

About 3-[5-(2-bromophenyl)-1,3-oxazol-2-yl]-N-methyl-N-piperidin-4-ylpropanamide

3-[5-(2-bromophenyl)-1,3-oxazol-2-yl]-N-methyl-N-piperidin-4-ylpropanamide (PubChem CID 119442297) has the molecular formula C18H22BrN3O2 and a molecular weight of 392.30 g/mol. Its IUPAC name is 3-[5-(2-bromophenyl)-1,3-oxazol-2-yl]-N-methyl-N-piperidin-4-ylpropanamide.

Molecular Properties

Compound Name3-[5-(2-bromophenyl)-1,3-oxazol-2-yl]-N-methyl-N-piperidin-4-ylpropanamide
PubChem CID119442297
Molecular FormulaC18H22BrN3O2
Molecular Weight392.30 g/mol
Exact Mass391.09
IUPAC Name3-[5-(2-bromophenyl)-1,3-oxazol-2-yl]-N-methyl-N-piperidin-4-ylpropanamide
SMILESCN(C(=O)CCc1ncc(-c2ccccc2Br)o1)C1CCNCC1
InChIInChI=1S/C18H22BrN3O2/c1-22(13-8-10-20-11-9-13)18(23)7-6-17-21-12-16(24-17)14-4-2-3-5-15(14)19/h2-5,12-13,20H,6-11H2,1H3
InChIKeyRPEZSCSPPHGHTH-UHFFFAOYSA-N
XLogP3.25
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.30
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-methyl-N-pyrrolidin-3-ylpropanamide;dihydrochloride
CID 119550447
3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-methyl-N-piperidin-4-ylpropanamide;dihydrochloride
CID 119442139
N-methyl-3-(5-phenyl-1,3-oxazol-2-yl)-N-pyrrolidin-3-ylpropanamide;dihydrochloride
CID 119551279
3-[5-(2-bromophenyl)-1,3-oxazol-2-yl]-N-pyrrolidin-3-ylpropanamide
CID 119451068
3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-methyl-N-pyrrolidin-3-ylpropanamide;dihydrochloride
CID 119551955
3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-propyl-N-pyrrolidin-3-ylpropanamide
CID 119531213
3-(5-phenyl-1,3-oxazol-2-yl)-N-piperidin-4-yl-N-propylpropanamide;dihydrochloride
CID 119823979
3-[5-(2-bromophenyl)-1,3-oxazol-2-yl]-1-(2,3-dimethylpiperazin-1-yl)propan-1-one;dihydrochloride
CID 120571841
2-(2-bromophenyl)-N-methyl-N-piperidin-4-ylacetamide
CID 83749686
3-[[5-(2-bromophenyl)-1,3-oxazol-2-yl]methyl-methylamino]propanoic acid
CID 119911967
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-methyl-N-(2-methylcyclohexyl)propanamide
CID 134020373
1-(3-aminopyrrolidin-1-yl)-3-[5-(2-bromophenyl)-1,3-oxazol-2-yl]propan-1-one
CID 119482722

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-bromophenyl)-1,3-oxazol-2-yl]-N-methyl-N-piperidin-4-ylpropanamide?
The IUPAC name of 3-[5-(2-bromophenyl)-1,3-oxazol-2-yl]-N-methyl-N-piperidin-4-ylpropanamide (CID 119442297) is 3-[5-(2-bromophenyl)-1,3-oxazol-2-yl]-N-methyl-N-piperidin-4-ylpropanamide.
What is the SMILES notation for 3-[5-(2-bromophenyl)-1,3-oxazol-2-yl]-N-methyl-N-piperidin-4-ylpropanamide?
The canonical SMILES for 3-[5-(2-bromophenyl)-1,3-oxazol-2-yl]-N-methyl-N-piperidin-4-ylpropanamide is CN(C(=O)CCc1ncc(-c2ccccc2Br)o1)C1CCNCC1.
What is the InChIKey of 3-[5-(2-bromophenyl)-1,3-oxazol-2-yl]-N-methyl-N-piperidin-4-ylpropanamide?
The InChIKey is RPEZSCSPPHGHTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22BrN3O2/c1-22(13-8-10-20-11-9-13)18(23)7-6-17-21-12-16(24-17)14-4-2-3-5-15(14)19/h2-5,12-13,20H,6-11H2,1H3.
What are the key properties of 3-[5-(2-bromophenyl)-1,3-oxazol-2-yl]-N-methyl-N-piperidin-4-ylpropanamide?
3-[5-(2-bromophenyl)-1,3-oxazol-2-yl]-N-methyl-N-piperidin-4-ylpropanamide has a molecular weight of 392.30 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-bromophenyl)-1,3-oxazol-2-yl]-N-methyl-N-piperidin-4-ylpropanamide is sourced from PubChem (CID 119442297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).