[(2R)-2-[4-(3,4-dimethyl-1,2-oxazol-5-yl)-1-methylpyrazol-3-yl]piperidin-1-yl]-(4,5-dimethylthiophen-3-yl)methanone

C21H26N4O2S — CID 92596895

IUPAC[(2R)-2-[4-(3,4-dimethyl-1,2-oxazol-5-yl)-1-methylpyrazol-3-yl]piperidin-1-yl]-(4,5-dimethylthiophen-3-yl)methanone
SMILESCc1noc(-c2cn(C)nc2[C@H]2CCCCN2C(=O)c2csc(C)c2C)c1C
InChIInChI=1S/C21H26N4O2S/c1-12-14(3)23-27-20(12)16-10-24(5)22-19(16)18-8-6-7-9-25(18)21(26)17-11-28-15(4)13(17)2/h10-11,18H,6-9H2,1-5H3/t18-/m1/s1
InChIKeyULHULVIMEBTKJB-GOSISDBHSA-N
MW398.53 g/mol
LogP4.74
Rot. Bonds3

About [(2R)-2-[4-(3,4-dimethyl-1,2-oxazol-5-yl)-1-methylpyrazol-3-yl]piperidin-1-yl]-(4,5-dimethylthiophen-3-yl)methanone

[(2R)-2-[4-(3,4-dimethyl-1,2-oxazol-5-yl)-1-methylpyrazol-3-yl]piperidin-1-yl]-(4,5-dimethylthiophen-3-yl)methanone (PubChem CID 92596895) has the molecular formula C21H26N4O2S and a molecular weight of 398.53 g/mol. Its IUPAC name is [(2R)-2-[4-(3,4-dimethyl-1,2-oxazol-5-yl)-1-methylpyrazol-3-yl]piperidin-1-yl]-(4,5-dimethylthiophen-3-yl)methanone.

Molecular Properties

Compound Name[(2R)-2-[4-(3,4-dimethyl-1,2-oxazol-5-yl)-1-methylpyrazol-3-yl]piperidin-1-yl]-(4,5-dimethylthiophen-3-yl)methanone
PubChem CID92596895
Molecular FormulaC21H26N4O2S
Molecular Weight398.53 g/mol
Exact Mass398.18
IUPAC Name[(2R)-2-[4-(3,4-dimethyl-1,2-oxazol-5-yl)-1-methylpyrazol-3-yl]piperidin-1-yl]-(4,5-dimethylthiophen-3-yl)methanone
SMILESCc1noc(-c2cn(C)nc2[C@H]2CCCCN2C(=O)c2csc(C)c2C)c1C
InChIInChI=1S/C21H26N4O2S/c1-12-14(3)23-27-20(12)16-10-24(5)22-19(16)18-8-6-7-9-25(18)21(26)17-11-28-15(4)13(17)2/h10-11,18H,6-9H2,1-5H3/t18-/m1/s1
InChIKeyULHULVIMEBTKJB-GOSISDBHSA-N
XLogP4.74
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.53
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(2R)-2-[4-(3,4-dimethyl-1,2-oxazol-5-yl)-1-methylpyrazol-3-yl]piperidin-1-yl]-(4,5-dimethylthiophen-3-yl)methanone with MolForge

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Launch Full Analysis

Related Compounds

1-[(2R)-2-[4-(3,4-dimethyl-1,2-oxazol-5-yl)-1-methylpyrazol-3-yl]piperidin-1-yl]butan-1-one
CID 92586497
[(2S)-2-[1-methyl-4-(3-methyl-1,2-oxazol-5-yl)pyrazol-3-yl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 92554308
[(2R)-2-[1-methyl-4-(3-methyl-1,2-oxazol-5-yl)pyrazol-3-yl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 92554309
1-[(2R)-2-[1-methyl-4-(3-methyl-1,2-oxazol-5-yl)pyrazol-3-yl]piperidin-1-yl]-2-(3,4,5-trimethylpyrazol-1-yl)ethanone
CID 92554277
2-methoxy-1-[(2R)-2-[1-methyl-4-(3-methyl-1,2-oxazol-5-yl)pyrazol-3-yl]piperidin-1-yl]ethanone
CID 92554252
[2-[4-(3,4-dimethyl-1,2-oxazol-5-yl)-1H-pyrazol-5-yl]piperidin-1-yl]-phenylmethanone
CID 136766135
cyclopropyl-[2-[2-(dimethylamino)-5-(3,4-dimethyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]methanone
CID 110218620
[(2S)-2-[1-methyl-4-(3-methyl-1,2-oxazol-5-yl)pyrazol-3-yl]pyrrolidin-1-yl]-(1-propan-2-ylpiperidin-4-yl)methanone
CID 92554313
[2-(4-chloro-1-methylpyrazol-3-yl)azepan-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone
CID 110214471
2-cyclohexyl-1-[(2S)-2-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-propylpyrimidin-4-yl]piperidin-1-yl]ethanone
CID 95850470
2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-1-[2-[1-methyl-4-(3-methyl-1,2-oxazol-5-yl)pyrazol-3-yl]piperidin-1-yl]ethanone
CID 110236249
2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-1-[(2R)-2-[1-methyl-4-(3-methyl-1,2-oxazol-5-yl)pyrazol-3-yl]piperidin-1-yl]ethanone
CID 92554279

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-[4-(3,4-dimethyl-1,2-oxazol-5-yl)-1-methylpyrazol-3-yl]piperidin-1-yl]-(4,5-dimethylthiophen-3-yl)methanone?
The IUPAC name of [(2R)-2-[4-(3,4-dimethyl-1,2-oxazol-5-yl)-1-methylpyrazol-3-yl]piperidin-1-yl]-(4,5-dimethylthiophen-3-yl)methanone (CID 92596895) is [(2R)-2-[4-(3,4-dimethyl-1,2-oxazol-5-yl)-1-methylpyrazol-3-yl]piperidin-1-yl]-(4,5-dimethylthiophen-3-yl)methanone.
What is the SMILES notation for [(2R)-2-[4-(3,4-dimethyl-1,2-oxazol-5-yl)-1-methylpyrazol-3-yl]piperidin-1-yl]-(4,5-dimethylthiophen-3-yl)methanone?
The canonical SMILES for [(2R)-2-[4-(3,4-dimethyl-1,2-oxazol-5-yl)-1-methylpyrazol-3-yl]piperidin-1-yl]-(4,5-dimethylthiophen-3-yl)methanone is Cc1noc(-c2cn(C)nc2[C@H]2CCCCN2C(=O)c2csc(C)c2C)c1C.
What is the InChIKey of [(2R)-2-[4-(3,4-dimethyl-1,2-oxazol-5-yl)-1-methylpyrazol-3-yl]piperidin-1-yl]-(4,5-dimethylthiophen-3-yl)methanone?
The InChIKey is ULHULVIMEBTKJB-GOSISDBHSA-N. The full InChI is InChI=1S/C21H26N4O2S/c1-12-14(3)23-27-20(12)16-10-24(5)22-19(16)18-8-6-7-9-25(18)21(26)17-11-28-15(4)13(17)2/h10-11,18H,6-9H2,1-5H3/t18-/m1/s1.
What are the key properties of [(2R)-2-[4-(3,4-dimethyl-1,2-oxazol-5-yl)-1-methylpyrazol-3-yl]piperidin-1-yl]-(4,5-dimethylthiophen-3-yl)methanone?
[(2R)-2-[4-(3,4-dimethyl-1,2-oxazol-5-yl)-1-methylpyrazol-3-yl]piperidin-1-yl]-(4,5-dimethylthiophen-3-yl)methanone has a molecular weight of 398.53 g/mol, XLogP of 4.74, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-[4-(3,4-dimethyl-1,2-oxazol-5-yl)-1-methylpyrazol-3-yl]piperidin-1-yl]-(4,5-dimethylthiophen-3-yl)methanone is sourced from PubChem (CID 92596895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).