2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2R)-2-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-1-yl]ethanone

C18H21N5O2 — CID 125003566

IUPAC2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2R)-2-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-1-yl]ethanone
SMILESCc1noc(C)c1CC(=O)N1CCCC[C@@H]1c1ccn2nccc2n1
InChIInChI=1S/C18H21N5O2/c1-12-14(13(2)25-21-12)11-18(24)22-9-4-3-5-16(22)15-7-10-23-17(20-15)6-8-19-23/h6-8,10,16H,3-5,9,11H2,1-2H3/t16-/m1/s1
InChIKeySSKVSFSBXSKOHL-MRXNPFEDSA-N
MW339.40 g/mol
LogP2.63
Rot. Bonds3

About 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2R)-2-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-1-yl]ethanone

2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2R)-2-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-1-yl]ethanone (PubChem CID 125003566) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2R)-2-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2R)-2-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-1-yl]ethanone
PubChem CID125003566
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2R)-2-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-1-yl]ethanone
SMILESCc1noc(C)c1CC(=O)N1CCCC[C@@H]1c1ccn2nccc2n1
InChIInChI=1S/C18H21N5O2/c1-12-14(13(2)25-21-12)11-18(24)22-9-4-3-5-16(22)15-7-10-23-17(20-15)6-8-19-23/h6-8,10,16H,3-5,9,11H2,1-2H3/t16-/m1/s1
InChIKeySSKVSFSBXSKOHL-MRXNPFEDSA-N
XLogP2.63
TPSA76.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(3,5-dimethyl-1,2-oxazol-4-yl)-(2-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-1-yl)methanone
CID 110118399
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-1-yl)ethanone
CID 110132853
2-(2-methyl-1,3-thiazol-4-yl)-1-[(2R)-2-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-1-yl]ethanone
CID 125004350
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2R)-2-phenylazepan-1-yl]ethanone
CID 97313180
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2R)-2-(1-methylpyrrol-2-yl)azepan-1-yl]ethanone
CID 95126946
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone
CID 53191931
1-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)azepan-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone
CID 91919998
[3-(2-methylpropyl)-1,2-oxazol-5-yl]-[(2R)-2-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-1-yl]methanone
CID 125026661
1-[(2R)-2-(6-amino-2-methylpyrimidin-4-yl)pyrrolidin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone
CID 124969312
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2S)-2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
CID 125008651
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2S)-2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone
CID 95110675
2-(2-fluorophenoxy)-1-(2-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-1-yl)ethanone
CID 110118435

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2R)-2-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-1-yl]ethanone?
The IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2R)-2-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-1-yl]ethanone (CID 125003566) is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2R)-2-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-1-yl]ethanone.
What is the SMILES notation for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2R)-2-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-1-yl]ethanone?
The canonical SMILES for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2R)-2-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-1-yl]ethanone is Cc1noc(C)c1CC(=O)N1CCCC[C@@H]1c1ccn2nccc2n1.
What is the InChIKey of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2R)-2-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-1-yl]ethanone?
The InChIKey is SSKVSFSBXSKOHL-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H21N5O2/c1-12-14(13(2)25-21-12)11-18(24)22-9-4-3-5-16(22)15-7-10-23-17(20-15)6-8-19-23/h6-8,10,16H,3-5,9,11H2,1-2H3/t16-/m1/s1.
What are the key properties of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2R)-2-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-1-yl]ethanone?
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2R)-2-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-1-yl]ethanone has a molecular weight of 339.40 g/mol, XLogP of 2.63, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2R)-2-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-1-yl]ethanone is sourced from PubChem (CID 125003566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).