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

C17H24N4O — CID 44580171

IUPAC3-cyclohexyl-5-(1-piperidin-4-ylpyrazol-4-yl)-1,2-oxazole
SMILESc1nn(C2CCNCC2)cc1-c1cc(C2CCCCC2)no1
InChIInChI=1S/C17H24N4O/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/h10-13,15,18H,1-9H2
InChIKeySDZAOALNBVILHY-UHFFFAOYSA-N
MW300.41 g/mol
LogP3.51
Rot. Bonds3

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

3-cyclohexyl-5-(1-piperidin-4-ylpyrazol-4-yl)-1,2-oxazole (PubChem CID 44580171) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is 3-cyclohexyl-5-(1-piperidin-4-ylpyrazol-4-yl)-1,2-oxazole.

Molecular Properties

Compound Name3-cyclohexyl-5-(1-piperidin-4-ylpyrazol-4-yl)-1,2-oxazole
PubChem CID44580171
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC Name3-cyclohexyl-5-(1-piperidin-4-ylpyrazol-4-yl)-1,2-oxazole
SMILESc1nn(C2CCNCC2)cc1-c1cc(C2CCCCC2)no1
InChIInChI=1S/C17H24N4O/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/h10-13,15,18H,1-9H2
InChIKeySDZAOALNBVILHY-UHFFFAOYSA-N
XLogP3.51
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-isoxazol-5-ylphenyl)-3-(3-methyl-1H-pyrazol-1-yl)propanamide
CID 24790939
3-(3,5-dimethyl-1H-pyrazol-1-yl)-N-[4-(5-isoxazolyl)phenyl]propanamide
CID 24790950
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-phenylacetamide
CID 57422266
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
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
3-(3-chloropyridin-4-yl)-5-(1-(piperidin-4-yl)-1H-pyrazol-4-yl)isoxazole
CID 44580093
3-(2,6-dichlorophenyl)-5-(1-(piperidin-4-yl)-1H-pyrazol-4-yl)isoxazole
CID 44580095
3-(2-chlorophenyl)-5-(1-(piperidin-4-yl)-1H-pyrazol-4-yl)isoxazole
CID 44580252

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-5-(1-piperidin-4-ylpyrazol-4-yl)-1,2-oxazole?
The IUPAC name of 3-cyclohexyl-5-(1-piperidin-4-ylpyrazol-4-yl)-1,2-oxazole (CID 44580171) is 3-cyclohexyl-5-(1-piperidin-4-ylpyrazol-4-yl)-1,2-oxazole.
What is the SMILES notation for 3-cyclohexyl-5-(1-piperidin-4-ylpyrazol-4-yl)-1,2-oxazole?
The canonical SMILES for 3-cyclohexyl-5-(1-piperidin-4-ylpyrazol-4-yl)-1,2-oxazole is c1nn(C2CCNCC2)cc1-c1cc(C2CCCCC2)no1.
What is the InChIKey of 3-cyclohexyl-5-(1-piperidin-4-ylpyrazol-4-yl)-1,2-oxazole?
The InChIKey is SDZAOALNBVILHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O/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/h10-13,15,18H,1-9H2.
What are the key properties of 3-cyclohexyl-5-(1-piperidin-4-ylpyrazol-4-yl)-1,2-oxazole?
3-cyclohexyl-5-(1-piperidin-4-ylpyrazol-4-yl)-1,2-oxazole has a molecular weight of 300.41 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-5-(1-piperidin-4-ylpyrazol-4-yl)-1,2-oxazole is sourced from PubChem (CID 44580171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).