[3-[1-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone

C20H22N4O3 — CID 119062968

IUPAC[3-[1-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone
SMILESO=C(c1cc(-c2ccccc2)on1)N1CCCC(c2ccn(CCO)n2)C1
InChIInChI=1S/C20H22N4O3/c25-12-11-24-10-8-17(21-24)16-7-4-9-23(14-16)20(26)18-13-19(27-22-18)15-5-2-1-3-6-15/h1-3,5-6,8,10,13,16,25H,4,7,9,11-12,14H2
InChIKeyLRYQTOSACIMKKS-UHFFFAOYSA-N
MW366.42 g/mol
LogP2.55
Rot. Bonds5

About [3-[1-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone

[3-[1-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone (PubChem CID 119062968) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is [3-[1-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone.

Molecular Properties

Compound Name[3-[1-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone
PubChem CID119062968
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC Name[3-[1-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone
SMILESO=C(c1cc(-c2ccccc2)on1)N1CCCC(c2ccn(CCO)n2)C1
InChIInChI=1S/C20H22N4O3/c25-12-11-24-10-8-17(21-24)16-7-4-9-23(14-16)20(26)18-13-19(27-22-18)15-5-2-1-3-6-15/h1-3,5-6,8,10,13,16,25H,4,7,9,11-12,14H2
InChIKeyLRYQTOSACIMKKS-UHFFFAOYSA-N
XLogP2.55
TPSA84.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3S)-1-(5-phenyl-1,2-oxazole-3-carbonyl)piperidine-3-carboxylic acid
CID 119113731
1-[(3S)-3-[1-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]-4-phenylbutane-1,4-dione
CID 126443917
(3S)-3-[1-(2-hydroxyethyl)pyrazol-3-yl]-N-(2-phenylethyl)piperidine-1-carboxamide
CID 126440405
[(3S)-3-[1-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]-[3-(1,2,4-triazol-4-yl)phenyl]methanone
CID 126426841
(5-fluoro-3-pyridinyl)-[(3R)-3-[1-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]methanone
CID 126430234
[3-[1-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]-(4,5,6,7-tetrahydro-2-benzothiophen-1-yl)methanone
CID 119061089
N-[2-[(3S)-3-[1-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]-2-oxoethyl]benzamide
CID 126434627
[(3S)-3-[1-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]-(4,5,6,7-tetrahydro-2-benzothiophen-1-yl)methanone
CID 126427954
[(3S)-3-anilinopiperidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 42292828
[(3R)-3-anilinopiperidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 42292827
2-[3-[(3R)-1-(isoquinoline-3-carbonyl)piperidin-3-yl]pyrazol-1-yl]acetic acid
CID 126441239
2-[3-[1-(2,6-dimethylpyrimidine-4-carbonyl)piperidin-3-yl]pyrazol-1-yl]acetic acid
CID 119073577

Frequently Asked Questions

What is the IUPAC name of [3-[1-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone?
The IUPAC name of [3-[1-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone (CID 119062968) is [3-[1-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone.
What is the SMILES notation for [3-[1-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone?
The canonical SMILES for [3-[1-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone is O=C(c1cc(-c2ccccc2)on1)N1CCCC(c2ccn(CCO)n2)C1.
What is the InChIKey of [3-[1-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone?
The InChIKey is LRYQTOSACIMKKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3/c25-12-11-24-10-8-17(21-24)16-7-4-9-23(14-16)20(26)18-13-19(27-22-18)15-5-2-1-3-6-15/h1-3,5-6,8,10,13,16,25H,4,7,9,11-12,14H2.
What are the key properties of [3-[1-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone?
[3-[1-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone has a molecular weight of 366.42 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[1-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone is sourced from PubChem (CID 119062968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).