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

C22H28ClN3O2 — CID 20859881

IUPAC1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-cyclopentylpiperidine-4-carboxamide
SMILESCc1oc(-c2cccc(Cl)c2)nc1CN1CCC(C(=O)NC2CCCC2)CC1
InChIInChI=1S/C22H28ClN3O2/c1-15-20(25-22(28-15)17-5-4-6-18(23)13-17)14-26-11-9-16(10-12-26)21(27)24-19-7-2-3-8-19/h4-6,13,16,19H,2-3,7-12,14H2,1H3,(H,24,27)
InChIKeyJDCLJVANZLIJMR-UHFFFAOYSA-N
MW401.94 g/mol
LogP4.57
Rot. Bonds5

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

1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-cyclopentylpiperidine-4-carboxamide (PubChem CID 20859881) has the molecular formula C22H28ClN3O2 and a molecular weight of 401.94 g/mol. Its IUPAC name is 1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-cyclopentylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-cyclopentylpiperidine-4-carboxamide
PubChem CID20859881
Molecular FormulaC22H28ClN3O2
Molecular Weight401.94 g/mol
Exact Mass401.19
IUPAC Name1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-cyclopentylpiperidine-4-carboxamide
SMILESCc1oc(-c2cccc(Cl)c2)nc1CN1CCC(C(=O)NC2CCCC2)CC1
InChIInChI=1S/C22H28ClN3O2/c1-15-20(25-22(28-15)17-5-4-6-18(23)13-17)14-26-11-9-16(10-12-26)21(27)24-19-7-2-3-8-19/h4-6,13,16,19H,2-3,7-12,14H2,1H3,(H,24,27)
InChIKeyJDCLJVANZLIJMR-UHFFFAOYSA-N
XLogP4.57
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.94
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-cyclooctylpiperidine-3-carboxamide
CID 20859982
1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide
CID 3236063
1-[[2-(3-bromophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(2-methylcyclohexyl)piperidine-4-carboxamide
CID 20859872
1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-3-cyclopentylurea
CID 46344154
N-cyclopropyl-1-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidine-3-carboxamide
CID 20860011
[1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-4-yl]methanamine
CID 56760461
2-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfonyl]-N-cyclopentylacetamide
CID 20876720
1-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]piperidine-4-carboxamide
CID 92662420
1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-cyclopropylpiperidine-4-carboxamide
CID 38155425
N-(4-chlorophenyl)-4-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperazine-1-carboxamide
CID 46364592
1-[2-[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]acetyl]piperidine-4-carboxamide
CID 110673679
1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(4-phenylbutan-2-yl)piperidine-3-carboxamide
CID 20859995

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-cyclopentylpiperidine-4-carboxamide?
The IUPAC name of 1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-cyclopentylpiperidine-4-carboxamide (CID 20859881) is 1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-cyclopentylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-cyclopentylpiperidine-4-carboxamide?
The canonical SMILES for 1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-cyclopentylpiperidine-4-carboxamide is Cc1oc(-c2cccc(Cl)c2)nc1CN1CCC(C(=O)NC2CCCC2)CC1.
What is the InChIKey of 1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-cyclopentylpiperidine-4-carboxamide?
The InChIKey is JDCLJVANZLIJMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28ClN3O2/c1-15-20(25-22(28-15)17-5-4-6-18(23)13-17)14-26-11-9-16(10-12-26)21(27)24-19-7-2-3-8-19/h4-6,13,16,19H,2-3,7-12,14H2,1H3,(H,24,27).
What are the key properties of 1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-cyclopentylpiperidine-4-carboxamide?
1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-cyclopentylpiperidine-4-carboxamide has a molecular weight of 401.94 g/mol, XLogP of 4.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-cyclopentylpiperidine-4-carboxamide is sourced from PubChem (CID 20859881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).