[1-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone

C20H24ClN3O2 — CID 134018458

IUPAC[1-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(C1CCN(Cc2cc(-c3ccc(Cl)cc3)no2)CC1)N1CCCC1
InChIInChI=1S/C20H24ClN3O2/c21-17-5-3-15(4-6-17)19-13-18(26-22-19)14-23-11-7-16(8-12-23)20(25)24-9-1-2-10-24/h3-6,13,16H,1-2,7-12,14H2
InChIKeyMOJANSLOCFGGSQ-UHFFFAOYSA-N
MW373.88 g/mol
LogP3.83
Rot. Bonds4

About [1-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone

[1-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone (PubChem CID 134018458) has the molecular formula C20H24ClN3O2 and a molecular weight of 373.88 g/mol. Its IUPAC name is [1-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[1-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
PubChem CID134018458
Molecular FormulaC20H24ClN3O2
Molecular Weight373.88 g/mol
Exact Mass373.16
IUPAC Name[1-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(C1CCN(Cc2cc(-c3ccc(Cl)cc3)no2)CC1)N1CCCC1
InChIInChI=1S/C20H24ClN3O2/c21-17-5-3-15(4-6-17)19-13-18(26-22-19)14-23-11-7-16(8-12-23)20(25)24-9-1-2-10-24/h3-6,13,16H,1-2,7-12,14H2
InChIKeyMOJANSLOCFGGSQ-UHFFFAOYSA-N
XLogP3.83
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.88
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [1-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone with MolForge

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Related Compounds

2-[4-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]piperazin-1-yl]-1-piperidin-1-ylethanone
CID 134018590
1-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]piperidine-4-carboxylic acid
CID 119906674
3-(4-chlorophenyl)-5-(piperazin-1-ylmethyl)-1,2-oxazole
CID 94700421
[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-morpholin-4-ylmethanone
CID 4535496
N-(4-chlorophenyl)-5-(pyrrolidin-1-ylmethyl)-1,2-oxazole-3-carboxamide
CID 20950962
2-[1-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]acetyl chloride
CID 58504285
5-(azocan-1-ylmethyl)-3-(4-methylphenyl)-1,2-oxazole
CID 55648727
1-[4-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1,4-diazepan-1-yl]ethanone
CID 30760408
[1-[[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 42541317
[1-[(4-methylphenyl)methyl]piperidin-4-yl]-piperidin-1-ylmethanone
CID 883903
ethyl (3R)-1-(cyclopropanecarbonyl)-3-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]piperidine-3-carboxylate
CID 95853777
[1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 42541544

Frequently Asked Questions

What is the IUPAC name of [1-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [1-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone (CID 134018458) is [1-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [1-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [1-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone is O=C(C1CCN(Cc2cc(-c3ccc(Cl)cc3)no2)CC1)N1CCCC1.
What is the InChIKey of [1-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is MOJANSLOCFGGSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O2/c21-17-5-3-15(4-6-17)19-13-18(26-22-19)14-23-11-7-16(8-12-23)20(25)24-9-1-2-10-24/h3-6,13,16H,1-2,7-12,14H2.
What are the key properties of [1-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone?
[1-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 373.88 g/mol, XLogP of 3.83, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 134018458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).