2-methoxy-1-[(2R)-2-[1-methyl-4-(3-methyl-1,2-oxazol-5-yl)pyrazol-3-yl]piperidin-1-yl]ethanone

C16H22N4O3 — CID 92554252

IUPAC2-methoxy-1-[(2R)-2-[1-methyl-4-(3-methyl-1,2-oxazol-5-yl)pyrazol-3-yl]piperidin-1-yl]ethanone
SMILESCOCC(=O)N1CCCC[C@@H]1c1nn(C)cc1-c1cc(C)no1
InChIInChI=1S/C16H22N4O3/c1-11-8-14(23-18-11)12-9-19(2)17-16(12)13-6-4-5-7-20(13)15(21)10-22-3/h8-9,13H,4-7,10H2,1-3H3/t13-/m1/s1
InChIKeyOKEURCXKKREIRL-CYBMUJFWSA-N
MW318.38 g/mol
LogP2.08
Rot. Bonds4

About 2-methoxy-1-[(2R)-2-[1-methyl-4-(3-methyl-1,2-oxazol-5-yl)pyrazol-3-yl]piperidin-1-yl]ethanone

2-methoxy-1-[(2R)-2-[1-methyl-4-(3-methyl-1,2-oxazol-5-yl)pyrazol-3-yl]piperidin-1-yl]ethanone (PubChem CID 92554252) has the molecular formula C16H22N4O3 and a molecular weight of 318.38 g/mol. Its IUPAC name is 2-methoxy-1-[(2R)-2-[1-methyl-4-(3-methyl-1,2-oxazol-5-yl)pyrazol-3-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-methoxy-1-[(2R)-2-[1-methyl-4-(3-methyl-1,2-oxazol-5-yl)pyrazol-3-yl]piperidin-1-yl]ethanone
PubChem CID92554252
Molecular FormulaC16H22N4O3
Molecular Weight318.38 g/mol
Exact Mass318.17
IUPAC Name2-methoxy-1-[(2R)-2-[1-methyl-4-(3-methyl-1,2-oxazol-5-yl)pyrazol-3-yl]piperidin-1-yl]ethanone
SMILESCOCC(=O)N1CCCC[C@@H]1c1nn(C)cc1-c1cc(C)no1
InChIInChI=1S/C16H22N4O3/c1-11-8-14(23-18-11)12-9-19(2)17-16(12)13-6-4-5-7-20(13)15(21)10-22-3/h8-9,13H,4-7,10H2,1-3H3/t13-/m1/s1
InChIKeyOKEURCXKKREIRL-CYBMUJFWSA-N
XLogP2.08
TPSA73.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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-[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
[(2R)-2-[1-methyl-4-(3-methyl-1,2-oxazol-5-yl)pyrazol-3-yl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 92554309
[(2S)-2-[1-methyl-4-(3-methyl-1,2-oxazol-5-yl)pyrazol-3-yl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 92554308
[(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
1-[(2R)-2-[4-(3,4-dimethyl-1,2-oxazol-5-yl)-1-methylpyrazol-3-yl]piperidin-1-yl]butan-1-one
CID 92586497
[2-(4-chloro-1-methylpyrazol-3-yl)azepan-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone
CID 110214471
N-[[4-[1-methyl-4-(3-methyl-1,2-oxazol-5-yl)pyrazol-3-yl]cyclohexyl]methyl]cyclohex-3-ene-1-carboxamide
CID 110238914
2-cyclopentyl-1-[(2S)-2-[2-(dimethylamino)-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]ethanone
CID 92554396
2-cyclohexyl-1-[(2S)-2-[2-(dimethylamino)-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]ethanone
CID 92554398
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 2-methoxy-1-[(2R)-2-[1-methyl-4-(3-methyl-1,2-oxazol-5-yl)pyrazol-3-yl]piperidin-1-yl]ethanone?
The IUPAC name of 2-methoxy-1-[(2R)-2-[1-methyl-4-(3-methyl-1,2-oxazol-5-yl)pyrazol-3-yl]piperidin-1-yl]ethanone (CID 92554252) is 2-methoxy-1-[(2R)-2-[1-methyl-4-(3-methyl-1,2-oxazol-5-yl)pyrazol-3-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-methoxy-1-[(2R)-2-[1-methyl-4-(3-methyl-1,2-oxazol-5-yl)pyrazol-3-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-methoxy-1-[(2R)-2-[1-methyl-4-(3-methyl-1,2-oxazol-5-yl)pyrazol-3-yl]piperidin-1-yl]ethanone is COCC(=O)N1CCCC[C@@H]1c1nn(C)cc1-c1cc(C)no1.
What is the InChIKey of 2-methoxy-1-[(2R)-2-[1-methyl-4-(3-methyl-1,2-oxazol-5-yl)pyrazol-3-yl]piperidin-1-yl]ethanone?
The InChIKey is OKEURCXKKREIRL-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H22N4O3/c1-11-8-14(23-18-11)12-9-19(2)17-16(12)13-6-4-5-7-20(13)15(21)10-22-3/h8-9,13H,4-7,10H2,1-3H3/t13-/m1/s1.
What are the key properties of 2-methoxy-1-[(2R)-2-[1-methyl-4-(3-methyl-1,2-oxazol-5-yl)pyrazol-3-yl]piperidin-1-yl]ethanone?
2-methoxy-1-[(2R)-2-[1-methyl-4-(3-methyl-1,2-oxazol-5-yl)pyrazol-3-yl]piperidin-1-yl]ethanone has a molecular weight of 318.38 g/mol, XLogP of 2.08, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-[(2R)-2-[1-methyl-4-(3-methyl-1,2-oxazol-5-yl)pyrazol-3-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 92554252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).