3-phenyl-5-(1-piperidin-4-ylpyrazol-4-yl)-1,2-oxazole

C17H18N4O — CID 44580284

IUPAC3-phenyl-5-(1-piperidin-4-ylpyrazol-4-yl)-1,2-oxazole
SMILESc1ccc(-c2cc(-c3cnn(C4CCNCC4)c3)on2)cc1
InChIInChI=1S/C17H18N4O/c1-2-4-13(5-3-1)16-10-17(22-20-16)14-11-19-21(12-14)15-6-8-18-9-7-15/h1-5,10-12,15,18H,6-9H2
InChIKeyQOQQEIHTIBVBCO-UHFFFAOYSA-N
MW294.36 g/mol
LogP3.13
Rot. Bonds3

About 3-phenyl-5-(1-piperidin-4-ylpyrazol-4-yl)-1,2-oxazole

3-phenyl-5-(1-piperidin-4-ylpyrazol-4-yl)-1,2-oxazole (PubChem CID 44580284) has the molecular formula C17H18N4O and a molecular weight of 294.36 g/mol. Its IUPAC name is 3-phenyl-5-(1-piperidin-4-ylpyrazol-4-yl)-1,2-oxazole.

Molecular Properties

Compound Name3-phenyl-5-(1-piperidin-4-ylpyrazol-4-yl)-1,2-oxazole
PubChem CID44580284
Molecular FormulaC17H18N4O
Molecular Weight294.36 g/mol
Exact Mass294.15
IUPAC Name3-phenyl-5-(1-piperidin-4-ylpyrazol-4-yl)-1,2-oxazole
SMILESc1ccc(-c2cc(-c3cnn(C4CCNCC4)c3)on2)cc1
InChIInChI=1S/C17H18N4O/c1-2-4-13(5-3-1)16-10-17(22-20-16)14-11-19-21(12-14)15-6-8-18-9-7-15/h1-5,10-12,15,18H,6-9H2
InChIKeyQOQQEIHTIBVBCO-UHFFFAOYSA-N
XLogP3.13
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 24790939
3-(3,5-dimethyl-1H-pyrazol-1-yl)-N-[4-(5-isoxazolyl)phenyl]propanamide
CID 24790950
5-methyl-3-phenyl-4-(1H-pyrazol-1-ylcarbonyl)isoxazole
CID 757862
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-phenylacetamide
CID 57422266
1-benzyl-3-(1-((3,5-dimethylisoxazol-4-yl)methyl)-1H-pyrazol-4-yl)urea
CID 57422420
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-3-phenylpropanamide
CID 57944900
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-4-phenylbutanamide
CID 57944991
(7S)-7-amino-7-[1-(4-fluorophenyl)pyrazol-3-yl]-1-isoxazol-3-yl-heptan-1-one
CID 155925021
5-Phenyl-isoxazole-3-carboxylic acid (1-isopropyl-1H-pyrazol-4-yl)-amide
CID 1093761
3-(3,5-Dimethyl-1H-pyrazol-1-YL)-N-[4-(1,2-oxazol-5-YL)phenyl]butanamide
CID 24793665
3-(2-chlorophenyl)-5-(5-methyl-1-(piperidin-4-yl)-1H-pyrazol-4-yl)isoxazole
CID 24894145
3-(2-chloro-3-fluorophenyl)-5-(1-(piperidin-4-yl)-1H-pyrazol-4-yl)isoxazole
CID 44580092

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-5-(1-piperidin-4-ylpyrazol-4-yl)-1,2-oxazole?
The IUPAC name of 3-phenyl-5-(1-piperidin-4-ylpyrazol-4-yl)-1,2-oxazole (CID 44580284) is 3-phenyl-5-(1-piperidin-4-ylpyrazol-4-yl)-1,2-oxazole.
What is the SMILES notation for 3-phenyl-5-(1-piperidin-4-ylpyrazol-4-yl)-1,2-oxazole?
The canonical SMILES for 3-phenyl-5-(1-piperidin-4-ylpyrazol-4-yl)-1,2-oxazole is c1ccc(-c2cc(-c3cnn(C4CCNCC4)c3)on2)cc1.
What is the InChIKey of 3-phenyl-5-(1-piperidin-4-ylpyrazol-4-yl)-1,2-oxazole?
The InChIKey is QOQQEIHTIBVBCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O/c1-2-4-13(5-3-1)16-10-17(22-20-16)14-11-19-21(12-14)15-6-8-18-9-7-15/h1-5,10-12,15,18H,6-9H2.
What are the key properties of 3-phenyl-5-(1-piperidin-4-ylpyrazol-4-yl)-1,2-oxazole?
3-phenyl-5-(1-piperidin-4-ylpyrazol-4-yl)-1,2-oxazole has a molecular weight of 294.36 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-5-(1-piperidin-4-ylpyrazol-4-yl)-1,2-oxazole is sourced from PubChem (CID 44580284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).