N-[(3R)-1-[[5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]methyl]piperidin-3-yl]acetamide

C18H22ClN3O2 — CID 95975361

IUPACN-[(3R)-1-[[5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]methyl]piperidin-3-yl]acetamide
SMILESCC(=O)N[C@@H]1CCCN(Cc2nc(C)c(-c3ccc(Cl)cc3)o2)C1
InChIInChI=1S/C18H22ClN3O2/c1-12-18(14-5-7-15(19)8-6-14)24-17(20-12)11-22-9-3-4-16(10-22)21-13(2)23/h5-8,16H,3-4,9-11H2,1-2H3,(H,21,23)/t16-/m1/s1
InChIKeyYDOZVJBJXMTYRU-MRXNPFEDSA-N
MW347.85 g/mol
LogP3.40
Rot. Bonds4

About N-[(3R)-1-[[5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]methyl]piperidin-3-yl]acetamide

N-[(3R)-1-[[5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]methyl]piperidin-3-yl]acetamide (PubChem CID 95975361) has the molecular formula C18H22ClN3O2 and a molecular weight of 347.85 g/mol. Its IUPAC name is N-[(3R)-1-[[5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]methyl]piperidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3R)-1-[[5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]methyl]piperidin-3-yl]acetamide
PubChem CID95975361
Molecular FormulaC18H22ClN3O2
Molecular Weight347.85 g/mol
Exact Mass347.14
IUPAC NameN-[(3R)-1-[[5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]methyl]piperidin-3-yl]acetamide
SMILESCC(=O)N[C@@H]1CCCN(Cc2nc(C)c(-c3ccc(Cl)cc3)o2)C1
InChIInChI=1S/C18H22ClN3O2/c1-12-18(14-5-7-15(19)8-6-14)24-17(20-12)11-22-9-3-4-16(10-22)21-13(2)23/h5-8,16H,3-4,9-11H2,1-2H3,(H,21,23)/t16-/m1/s1
InChIKeyYDOZVJBJXMTYRU-MRXNPFEDSA-N
XLogP3.40
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.85
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(3R)-1-[[5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]methyl]piperidin-3-yl]acetamide with MolForge

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Related Compounds

(3aS,6aR)-2-[[5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]methyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 120680378
N-[1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]acetamide
CID 87014515
N-[1-[[4-(3,5-dimethylphenyl)phenyl]methyl]piperidin-3-yl]acetamide
CID 134803652
N-[(3S)-1-benzylpiperidin-3-yl]acetamide
CID 58526543
N-[(3S)-1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]acetamide
CID 94176772
N-[(3R)-1-[(4-chlorophenyl)methyl]piperidin-3-yl]-2-(4-ethylpiperazin-1-yl)acetamide
CID 51636347
N-[(3R)-1-[(4-chlorophenyl)methyl]piperidin-3-yl]-3-(3-methylpyrazol-1-yl)propanamide
CID 42196066
N-[(3S)-1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]acetamide
CID 99589276
N-[[5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]methyl]pyrrolidine-2-carboxamide
CID 119342019
5-(4-chlorophenyl)-4-methyl-2-[(3-methylpyrazol-1-yl)methyl]-1,3-oxazole
CID 75496349
2-(3-acetamidopiperidin-1-yl)-N-(4-methylphenyl)acetamide
CID 60511665
methyl 4-[4-[[(3R)-3-acetamidopiperidin-1-yl]methyl]-1,3-thiazol-2-yl]benzoate
CID 52509966

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-[[5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]methyl]piperidin-3-yl]acetamide?
The IUPAC name of N-[(3R)-1-[[5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]methyl]piperidin-3-yl]acetamide (CID 95975361) is N-[(3R)-1-[[5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]methyl]piperidin-3-yl]acetamide.
What is the SMILES notation for N-[(3R)-1-[[5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]methyl]piperidin-3-yl]acetamide?
The canonical SMILES for N-[(3R)-1-[[5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]methyl]piperidin-3-yl]acetamide is CC(=O)N[C@@H]1CCCN(Cc2nc(C)c(-c3ccc(Cl)cc3)o2)C1.
What is the InChIKey of N-[(3R)-1-[[5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]methyl]piperidin-3-yl]acetamide?
The InChIKey is YDOZVJBJXMTYRU-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H22ClN3O2/c1-12-18(14-5-7-15(19)8-6-14)24-17(20-12)11-22-9-3-4-16(10-22)21-13(2)23/h5-8,16H,3-4,9-11H2,1-2H3,(H,21,23)/t16-/m1/s1.
What are the key properties of N-[(3R)-1-[[5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]methyl]piperidin-3-yl]acetamide?
N-[(3R)-1-[[5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]methyl]piperidin-3-yl]acetamide has a molecular weight of 347.85 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-[[5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]methyl]piperidin-3-yl]acetamide is sourced from PubChem (CID 95975361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).