[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[(3S)-3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone

C21H23ClN4O2 — CID 95225246

IUPAC[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[(3S)-3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
SMILESCCc1cn[nH]c1[C@H]1CCCN(C(=O)c2c(-c3ccccc3Cl)noc2C)C1
InChIInChI=1S/C21H23ClN4O2/c1-3-14-11-23-24-19(14)15-7-6-10-26(12-15)21(27)18-13(2)28-25-20(18)16-8-4-5-9-17(16)22/h4-5,8-9,11,15H,3,6-7,10,12H2,1-2H3,(H,23,24)/t15-/m0/s1
InChIKeyGGOFTHXXOYJMFF-HNNXBMFYSA-N
MW398.89 g/mol
LogP4.61
Rot. Bonds4

About [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[(3S)-3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone

[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[(3S)-3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone (PubChem CID 95225246) has the molecular formula C21H23ClN4O2 and a molecular weight of 398.89 g/mol. Its IUPAC name is [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[(3S)-3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[(3S)-3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
PubChem CID95225246
Molecular FormulaC21H23ClN4O2
Molecular Weight398.89 g/mol
Exact Mass398.15
IUPAC Name[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[(3S)-3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
SMILESCCc1cn[nH]c1[C@H]1CCCN(C(=O)c2c(-c3ccccc3Cl)noc2C)C1
InChIInChI=1S/C21H23ClN4O2/c1-3-14-11-23-24-19(14)15-7-6-10-26(12-15)21(27)18-13(2)28-25-20(18)16-8-4-5-9-17(16)22/h4-5,8-9,11,15H,3,6-7,10,12H2,1-2H3,(H,23,24)/t15-/m0/s1
InChIKeyGGOFTHXXOYJMFF-HNNXBMFYSA-N
XLogP4.61
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.89
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 110886891
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]-pyrrolidin-1-ylmethanone
CID 743641
1-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]piperidine-3-carboxamide
CID 78815860
[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119490813
N-(2-aminoethyl)-1-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]piperidine-3-carboxamide
CID 119480892
(8-chloroquinolin-2-yl)-[3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 56757447
[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]-(3-ethylsulfonylazetidin-1-yl)methanone
CID 121164338
(3,5-dimethyl-1,2-oxazol-4-yl)-[3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 110270937
(3,5-dimethyl-1,2-oxazol-4-yl)-[(3S)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 95845478
1-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]-N-ethylpiperidine-4-carboxamide
CID 78863680

Frequently Asked Questions

What is the IUPAC name of [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[(3S)-3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone?
The IUPAC name of [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[(3S)-3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone (CID 95225246) is [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[(3S)-3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone.
What is the SMILES notation for [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[(3S)-3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone?
The canonical SMILES for [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[(3S)-3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone is CCc1cn[nH]c1[C@H]1CCCN(C(=O)c2c(-c3ccccc3Cl)noc2C)C1.
What is the InChIKey of [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[(3S)-3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone?
The InChIKey is GGOFTHXXOYJMFF-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H23ClN4O2/c1-3-14-11-23-24-19(14)15-7-6-10-26(12-15)21(27)18-13(2)28-25-20(18)16-8-4-5-9-17(16)22/h4-5,8-9,11,15H,3,6-7,10,12H2,1-2H3,(H,23,24)/t15-/m0/s1.
What are the key properties of [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[(3S)-3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone?
[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[(3S)-3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone has a molecular weight of 398.89 g/mol, XLogP of 4.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[(3S)-3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 95225246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).