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

C22H25ClN4O2 — CID 90495183

IUPAC[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]methanone
SMILESCc1cc(C)n(CC2CCN(C(=O)c3c(-c4ccccc4Cl)noc3C)CC2)n1
InChIInChI=1S/C22H25ClN4O2/c1-14-12-15(2)27(24-14)13-17-8-10-26(11-9-17)22(28)20-16(3)29-25-21(20)18-6-4-5-7-19(18)23/h4-7,12,17H,8-11,13H2,1-3H3
InChIKeyWDIURTVCESBTSM-UHFFFAOYSA-N
MW412.92 g/mol
LogP4.67
Rot. Bonds4

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

[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]methanone (PubChem CID 90495183) has the molecular formula C22H25ClN4O2 and a molecular weight of 412.92 g/mol. Its IUPAC name is [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]methanone
PubChem CID90495183
Molecular FormulaC22H25ClN4O2
Molecular Weight412.92 g/mol
Exact Mass412.17
IUPAC Name[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]methanone
SMILESCc1cc(C)n(CC2CCN(C(=O)c3c(-c4ccccc4Cl)noc3C)CC2)n1
InChIInChI=1S/C22H25ClN4O2/c1-14-12-15(2)27(24-14)13-17-8-10-26(11-9-17)22(28)20-16(3)29-25-21(20)18-6-4-5-7-19(18)23/h4-7,12,17H,8-11,13H2,1-3H3
InChIKeyWDIURTVCESBTSM-UHFFFAOYSA-N
XLogP4.67
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.92
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-pyrrolidin-1-ylmethanone
CID 743641
1-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]-N-ethylpiperidine-4-carboxamide
CID 78863680
[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[4-(triazol-2-yl)piperidin-1-yl]methanone
CID 121164854
[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[3-(hydroxymethyl)azetidin-1-yl]methanone
CID 121105782
[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[4-(oxolan-3-ylmethyl)piperazin-1-yl]methanone
CID 102554978
[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 110886891
N-butyl-1-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]piperidine-4-carboxamide
CID 78865229
[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 1050462
[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119490813
ethyl (3S)-1-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]piperidine-3-carboxylate
CID 1147643
[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 700024
1-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]-4-hydroxypiperidine-4-carboxylic acid
CID 119251237

Frequently Asked Questions

What is the IUPAC name of [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]methanone?
The IUPAC name of [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]methanone (CID 90495183) is [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]methanone.
What is the SMILES notation for [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]methanone?
The canonical SMILES for [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]methanone is Cc1cc(C)n(CC2CCN(C(=O)c3c(-c4ccccc4Cl)noc3C)CC2)n1.
What is the InChIKey of [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]methanone?
The InChIKey is WDIURTVCESBTSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN4O2/c1-14-12-15(2)27(24-14)13-17-8-10-26(11-9-17)22(28)20-16(3)29-25-21(20)18-6-4-5-7-19(18)23/h4-7,12,17H,8-11,13H2,1-3H3.
What are the key properties of [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]methanone?
[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]methanone has a molecular weight of 412.92 g/mol, XLogP of 4.67, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 90495183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).