3-methyl-5-[5-[(2S)-1-[(2-methylphenyl)methyl]piperidin-2-yl]-1H-pyrazol-4-yl]-1,2-oxazole

C20H24N4O — CID 136763355

IUPAC3-methyl-5-[5-[(2S)-1-[(2-methylphenyl)methyl]piperidin-2-yl]-1H-pyrazol-4-yl]-1,2-oxazole
SMILESCc1cc(-c2cn[nH]c2[C@@H]2CCCCN2Cc2ccccc2C)on1
InChIInChI=1S/C20H24N4O/c1-14-7-3-4-8-16(14)13-24-10-6-5-9-18(24)20-17(12-21-22-20)19-11-15(2)23-25-19/h3-4,7-8,11-12,18H,5-6,9-10,13H2,1-2H3,(H,21,22)/t18-/m0/s1
InChIKeyTXCVIJJNRDYMTD-SFHVURJKSA-N
MW336.44 g/mol
LogP4.41
Rot. Bonds4

About 3-methyl-5-[5-[(2S)-1-[(2-methylphenyl)methyl]piperidin-2-yl]-1H-pyrazol-4-yl]-1,2-oxazole

3-methyl-5-[5-[(2S)-1-[(2-methylphenyl)methyl]piperidin-2-yl]-1H-pyrazol-4-yl]-1,2-oxazole (PubChem CID 136763355) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is 3-methyl-5-[5-[(2S)-1-[(2-methylphenyl)methyl]piperidin-2-yl]-1H-pyrazol-4-yl]-1,2-oxazole.

Molecular Properties

Compound Name3-methyl-5-[5-[(2S)-1-[(2-methylphenyl)methyl]piperidin-2-yl]-1H-pyrazol-4-yl]-1,2-oxazole
PubChem CID136763355
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC Name3-methyl-5-[5-[(2S)-1-[(2-methylphenyl)methyl]piperidin-2-yl]-1H-pyrazol-4-yl]-1,2-oxazole
SMILESCc1cc(-c2cn[nH]c2[C@@H]2CCCCN2Cc2ccccc2C)on1
InChIInChI=1S/C20H24N4O/c1-14-7-3-4-8-16(14)13-24-10-6-5-9-18(24)20-17(12-21-22-20)19-11-15(2)23-25-19/h3-4,7-8,11-12,18H,5-6,9-10,13H2,1-2H3,(H,21,22)/t18-/m0/s1
InChIKeyTXCVIJJNRDYMTD-SFHVURJKSA-N
XLogP4.41
TPSA57.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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-[2-[4-(3-methyl-1,2-oxazol-5-yl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-(4-methylphenyl)ethanone
CID 136766095
N-benzyl-N-methyl-5-[(2R)-1-[(2-methylphenyl)methyl]piperidin-2-yl]-1H-pyrazole-4-carboxamide
CID 124998845
5-[5-[1-(2-chlorophenyl)sulfonylpyrrolidin-2-yl]-1H-pyrazol-4-yl]-3-methyl-1,2-oxazole
CID 136766064
3-methyl-5-[(2S)-1-[(5-phenyl-1H-pyrazol-4-yl)methyl]pyrrolidin-2-yl]-1,2-oxazole
CID 95997491
(2S)-1-[[2-(2-fluorophenyl)phenyl]methyl]-2-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidine
CID 125002523
1-[[2-(2-fluorophenyl)phenyl]methyl]-2-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidine
CID 110149794
5-[(2S)-1-[(2-fluorophenyl)methyl]azepan-2-yl]-3-methyl-1,2-oxazole
CID 51584502
2-(3-chlorophenyl)-1-[(2R)-2-[4-(3-methyl-1,2-oxazol-5-yl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]ethanone
CID 136860499
3-methyl-2-[[2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyridine
CID 110106195
1-[2-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]-2-(2-methylphenyl)ethanone
CID 110218537

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[5-[(2S)-1-[(2-methylphenyl)methyl]piperidin-2-yl]-1H-pyrazol-4-yl]-1,2-oxazole?
The IUPAC name of 3-methyl-5-[5-[(2S)-1-[(2-methylphenyl)methyl]piperidin-2-yl]-1H-pyrazol-4-yl]-1,2-oxazole (CID 136763355) is 3-methyl-5-[5-[(2S)-1-[(2-methylphenyl)methyl]piperidin-2-yl]-1H-pyrazol-4-yl]-1,2-oxazole.
What is the SMILES notation for 3-methyl-5-[5-[(2S)-1-[(2-methylphenyl)methyl]piperidin-2-yl]-1H-pyrazol-4-yl]-1,2-oxazole?
The canonical SMILES for 3-methyl-5-[5-[(2S)-1-[(2-methylphenyl)methyl]piperidin-2-yl]-1H-pyrazol-4-yl]-1,2-oxazole is Cc1cc(-c2cn[nH]c2[C@@H]2CCCCN2Cc2ccccc2C)on1.
What is the InChIKey of 3-methyl-5-[5-[(2S)-1-[(2-methylphenyl)methyl]piperidin-2-yl]-1H-pyrazol-4-yl]-1,2-oxazole?
The InChIKey is TXCVIJJNRDYMTD-SFHVURJKSA-N. The full InChI is InChI=1S/C20H24N4O/c1-14-7-3-4-8-16(14)13-24-10-6-5-9-18(24)20-17(12-21-22-20)19-11-15(2)23-25-19/h3-4,7-8,11-12,18H,5-6,9-10,13H2,1-2H3,(H,21,22)/t18-/m0/s1.
What are the key properties of 3-methyl-5-[5-[(2S)-1-[(2-methylphenyl)methyl]piperidin-2-yl]-1H-pyrazol-4-yl]-1,2-oxazole?
3-methyl-5-[5-[(2S)-1-[(2-methylphenyl)methyl]piperidin-2-yl]-1H-pyrazol-4-yl]-1,2-oxazole has a molecular weight of 336.44 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[5-[(2S)-1-[(2-methylphenyl)methyl]piperidin-2-yl]-1H-pyrazol-4-yl]-1,2-oxazole is sourced from PubChem (CID 136763355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).