3,4-dimethyl-5-[5-[(2R)-1-[(4-propan-2-ylphenyl)methyl]piperidin-2-yl]-1H-pyrazol-4-yl]-1,2-oxazole

C23H30N4O — CID 136735725

IUPAC3,4-dimethyl-5-[5-[(2R)-1-[(4-propan-2-ylphenyl)methyl]piperidin-2-yl]-1H-pyrazol-4-yl]-1,2-oxazole
SMILESCc1noc(-c2cn[nH]c2[C@H]2CCCCN2Cc2ccc(C(C)C)cc2)c1C
InChIInChI=1S/C23H30N4O/c1-15(2)19-10-8-18(9-11-19)14-27-12-6-5-7-21(27)22-20(13-24-25-22)23-16(3)17(4)26-28-23/h8-11,13,15,21H,5-7,12,14H2,1-4H3,(H,24,25)/t21-/m1/s1
InChIKeyLBDXQRGBKBDNSI-OAQYLSRUSA-N
MW378.52 g/mol
LogP5.53
Rot. Bonds5

About 3,4-dimethyl-5-[5-[(2R)-1-[(4-propan-2-ylphenyl)methyl]piperidin-2-yl]-1H-pyrazol-4-yl]-1,2-oxazole

3,4-dimethyl-5-[5-[(2R)-1-[(4-propan-2-ylphenyl)methyl]piperidin-2-yl]-1H-pyrazol-4-yl]-1,2-oxazole (PubChem CID 136735725) has the molecular formula C23H30N4O and a molecular weight of 378.52 g/mol. Its IUPAC name is 3,4-dimethyl-5-[5-[(2R)-1-[(4-propan-2-ylphenyl)methyl]piperidin-2-yl]-1H-pyrazol-4-yl]-1,2-oxazole.

Molecular Properties

Compound Name3,4-dimethyl-5-[5-[(2R)-1-[(4-propan-2-ylphenyl)methyl]piperidin-2-yl]-1H-pyrazol-4-yl]-1,2-oxazole
PubChem CID136735725
Molecular FormulaC23H30N4O
Molecular Weight378.52 g/mol
Exact Mass378.24
IUPAC Name3,4-dimethyl-5-[5-[(2R)-1-[(4-propan-2-ylphenyl)methyl]piperidin-2-yl]-1H-pyrazol-4-yl]-1,2-oxazole
SMILESCc1noc(-c2cn[nH]c2[C@H]2CCCCN2Cc2ccc(C(C)C)cc2)c1C
InChIInChI=1S/C23H30N4O/c1-15(2)19-10-8-18(9-11-19)14-27-12-6-5-7-21(27)22-20(13-24-25-22)23-16(3)17(4)26-28-23/h8-11,13,15,21H,5-7,12,14H2,1-4H3,(H,24,25)/t21-/m1/s1
InChIKeyLBDXQRGBKBDNSI-OAQYLSRUSA-N
XLogP5.53
TPSA57.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.52
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[5-[(2S)-1-[(3,4-dichlorophenyl)methyl]piperidin-2-yl]-1H-pyrazol-4-yl]-3,4-dimethyl-1,2-oxazole
CID 136735719
5-[5-[1-[(3,4-difluorophenyl)methyl]piperidin-2-yl]-1H-pyrazol-4-yl]-3,4-dimethyl-1,2-oxazole
CID 136766152
5-[5-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-2-yl]-1H-pyrazol-4-yl]-3,4-dimethyl-1,2-oxazole
CID 136766141
1-[(2R)-2-[4-(3,4-dimethyl-1,2-oxazol-5-yl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]-2-(4-methylphenyl)ethanone
CID 136860857
[2-[4-(3,4-dimethyl-1,2-oxazol-5-yl)-1H-pyrazol-5-yl]piperidin-1-yl]-phenylmethanone
CID 136766135
1-[2-[4-(3,4-dimethyl-1,2-oxazol-5-yl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]-2-(4-fluorophenyl)ethanone
CID 136766052
5-[5-[(2S)-1-[(2-chlorophenyl)methyl]piperidin-2-yl]-1H-pyrazol-4-yl]-3-methyl-1,2-oxazole
CID 136860474
3-methyl-5-[5-[(2R)-1-[(3-methylphenyl)methyl]piperidin-2-yl]-1H-pyrazol-4-yl]-1,2-oxazole
CID 136763208
1-[(2S)-2-[4-(3,4-dimethyl-1,2-oxazol-5-yl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-(2-fluorophenyl)ethanone
CID 136735701
(2S)-2-(4-methyl-1H-pyrazol-5-yl)-1-[(4-methylsulfonylphenyl)methyl]piperidine
CID 124999687
1-[(2S)-2-[4-(3,4-dimethyl-1,2-oxazol-5-yl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]-2-(3-methylphenyl)ethanone
CID 136763173
1,3,5-trimethyl-4-[1-[(4-propan-2-ylphenyl)methyl]pyrrolidin-2-yl]pyrazole
CID 86895587

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-5-[5-[(2R)-1-[(4-propan-2-ylphenyl)methyl]piperidin-2-yl]-1H-pyrazol-4-yl]-1,2-oxazole?
The IUPAC name of 3,4-dimethyl-5-[5-[(2R)-1-[(4-propan-2-ylphenyl)methyl]piperidin-2-yl]-1H-pyrazol-4-yl]-1,2-oxazole (CID 136735725) is 3,4-dimethyl-5-[5-[(2R)-1-[(4-propan-2-ylphenyl)methyl]piperidin-2-yl]-1H-pyrazol-4-yl]-1,2-oxazole.
What is the SMILES notation for 3,4-dimethyl-5-[5-[(2R)-1-[(4-propan-2-ylphenyl)methyl]piperidin-2-yl]-1H-pyrazol-4-yl]-1,2-oxazole?
The canonical SMILES for 3,4-dimethyl-5-[5-[(2R)-1-[(4-propan-2-ylphenyl)methyl]piperidin-2-yl]-1H-pyrazol-4-yl]-1,2-oxazole is Cc1noc(-c2cn[nH]c2[C@H]2CCCCN2Cc2ccc(C(C)C)cc2)c1C.
What is the InChIKey of 3,4-dimethyl-5-[5-[(2R)-1-[(4-propan-2-ylphenyl)methyl]piperidin-2-yl]-1H-pyrazol-4-yl]-1,2-oxazole?
The InChIKey is LBDXQRGBKBDNSI-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H30N4O/c1-15(2)19-10-8-18(9-11-19)14-27-12-6-5-7-21(27)22-20(13-24-25-22)23-16(3)17(4)26-28-23/h8-11,13,15,21H,5-7,12,14H2,1-4H3,(H,24,25)/t21-/m1/s1.
What are the key properties of 3,4-dimethyl-5-[5-[(2R)-1-[(4-propan-2-ylphenyl)methyl]piperidin-2-yl]-1H-pyrazol-4-yl]-1,2-oxazole?
3,4-dimethyl-5-[5-[(2R)-1-[(4-propan-2-ylphenyl)methyl]piperidin-2-yl]-1H-pyrazol-4-yl]-1,2-oxazole has a molecular weight of 378.52 g/mol, XLogP of 5.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-5-[5-[(2R)-1-[(4-propan-2-ylphenyl)methyl]piperidin-2-yl]-1H-pyrazol-4-yl]-1,2-oxazole is sourced from PubChem (CID 136735725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).