(4-benzylpiperidin-1-yl)-[5-(1H-pyrazol-4-yl)-1,2-oxazol-3-yl]methanone

C19H20N4O2 — CID 155529193

IUPAC(4-benzylpiperidin-1-yl)-[5-(1H-pyrazol-4-yl)-1,2-oxazol-3-yl]methanone
SMILESO=C(c1cc(-c2cn[nH]c2)on1)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C19H20N4O2/c24-19(17-11-18(25-22-17)16-12-20-21-13-16)23-8-6-15(7-9-23)10-14-4-2-1-3-5-14/h1-5,11-13,15H,6-10H2,(H,20,21)
InChIKeyUGNMDLUMXSLIEP-UHFFFAOYSA-N
MW336.40 g/mol
LogP3.16
Rot. Bonds4

About (4-benzylpiperidin-1-yl)-[5-(1H-pyrazol-4-yl)-1,2-oxazol-3-yl]methanone

(4-benzylpiperidin-1-yl)-[5-(1H-pyrazol-4-yl)-1,2-oxazol-3-yl]methanone (PubChem CID 155529193) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is (4-benzylpiperidin-1-yl)-[5-(1H-pyrazol-4-yl)-1,2-oxazol-3-yl]methanone.

Molecular Properties

Compound Name(4-benzylpiperidin-1-yl)-[5-(1H-pyrazol-4-yl)-1,2-oxazol-3-yl]methanone
PubChem CID155529193
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name(4-benzylpiperidin-1-yl)-[5-(1H-pyrazol-4-yl)-1,2-oxazol-3-yl]methanone
SMILESO=C(c1cc(-c2cn[nH]c2)on1)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C19H20N4O2/c24-19(17-11-18(25-22-17)16-12-20-21-13-16)23-8-6-15(7-9-23)10-14-4-2-1-3-5-14/h1-5,11-13,15H,6-10H2,(H,20,21)
InChIKeyUGNMDLUMXSLIEP-UHFFFAOYSA-N
XLogP3.16
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-benzylpiperidin-1-yl)-[5-(4-methylsulfonylphenyl)-1,2-oxazol-3-yl]methanone
CID 91949802
(5-phenyl-1,2-oxazol-3-yl)-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone
CID 70742097
(4-phenylmethoxypiperidin-1-yl)-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone
CID 47044991
[1-(5-phenyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]-piperidin-1-ylmethanone
CID 51264852
(4-benzylpiperidin-1-yl)-(1,5-dimethylpyrazol-3-yl)methanone
CID 110685777
(4-benzylpiperidin-1-yl)-(1H-indazol-6-yl)methanone
CID 46341627
1-(5-phenyl-1,2-oxazole-3-carbonyl)piperidine-4-carboxamide
CID 1093757
(4-benzylpiperidin-1-yl)-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methanone
CID 55787641
(4-benzylsulfonylpiperidin-1-yl)-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone
CID 119105556
(4-benzylpiperidin-1-yl)-phenylmethanone
CID 796596
(4-benzylpiperidin-1-yl)-(2-phenyltriazol-4-yl)methanone
CID 110702375
5-(4-benzylpiperidine-1-carbonyl)-1,3-dihydrobenzimidazol-2-one
CID 110692348

Frequently Asked Questions

What is the IUPAC name of (4-benzylpiperidin-1-yl)-[5-(1H-pyrazol-4-yl)-1,2-oxazol-3-yl]methanone?
The IUPAC name of (4-benzylpiperidin-1-yl)-[5-(1H-pyrazol-4-yl)-1,2-oxazol-3-yl]methanone (CID 155529193) is (4-benzylpiperidin-1-yl)-[5-(1H-pyrazol-4-yl)-1,2-oxazol-3-yl]methanone.
What is the SMILES notation for (4-benzylpiperidin-1-yl)-[5-(1H-pyrazol-4-yl)-1,2-oxazol-3-yl]methanone?
The canonical SMILES for (4-benzylpiperidin-1-yl)-[5-(1H-pyrazol-4-yl)-1,2-oxazol-3-yl]methanone is O=C(c1cc(-c2cn[nH]c2)on1)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of (4-benzylpiperidin-1-yl)-[5-(1H-pyrazol-4-yl)-1,2-oxazol-3-yl]methanone?
The InChIKey is UGNMDLUMXSLIEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c24-19(17-11-18(25-22-17)16-12-20-21-13-16)23-8-6-15(7-9-23)10-14-4-2-1-3-5-14/h1-5,11-13,15H,6-10H2,(H,20,21).
What are the key properties of (4-benzylpiperidin-1-yl)-[5-(1H-pyrazol-4-yl)-1,2-oxazol-3-yl]methanone?
(4-benzylpiperidin-1-yl)-[5-(1H-pyrazol-4-yl)-1,2-oxazol-3-yl]methanone has a molecular weight of 336.40 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylpiperidin-1-yl)-[5-(1H-pyrazol-4-yl)-1,2-oxazol-3-yl]methanone is sourced from PubChem (CID 155529193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).