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

C18H20N4O — CID 44580285

IUPAC5-(5-methyl-1-piperidin-4-ylpyrazol-4-yl)-3-phenyl-1,2-oxazole
SMILESCc1c(-c2cc(-c3ccccc3)no2)cnn1C1CCNCC1
InChIInChI=1S/C18H20N4O/c1-13-16(12-20-22(13)15-7-9-19-10-8-15)18-11-17(21-23-18)14-5-3-2-4-6-14/h2-6,11-12,15,19H,7-10H2,1H3
InChIKeyXOFIFFNLXAVCSI-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.44
Rot. Bonds3

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

5-(5-methyl-1-piperidin-4-ylpyrazol-4-yl)-3-phenyl-1,2-oxazole (PubChem CID 44580285) has the molecular formula C18H20N4O and a molecular weight of 308.38 g/mol. Its IUPAC name is 5-(5-methyl-1-piperidin-4-ylpyrazol-4-yl)-3-phenyl-1,2-oxazole.

Molecular Properties

Compound Name5-(5-methyl-1-piperidin-4-ylpyrazol-4-yl)-3-phenyl-1,2-oxazole
PubChem CID44580285
Molecular FormulaC18H20N4O
Molecular Weight308.38 g/mol
Exact Mass308.16
IUPAC Name5-(5-methyl-1-piperidin-4-ylpyrazol-4-yl)-3-phenyl-1,2-oxazole
SMILESCc1c(-c2cc(-c3ccccc3)no2)cnn1C1CCNCC1
InChIInChI=1S/C18H20N4O/c1-13-16(12-20-22(13)15-7-9-19-10-8-15)18-11-17(21-23-18)14-5-3-2-4-6-14/h2-6,11-12,15,19H,7-10H2,1H3
InChIKeyXOFIFFNLXAVCSI-UHFFFAOYSA-N
XLogP3.44
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.44
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
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
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
N-(cyclopropylmethyl)-1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-3-phenylpyrazole-5-carboxamide
CID 24980474
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 5-(5-methyl-1-piperidin-4-ylpyrazol-4-yl)-3-phenyl-1,2-oxazole?
The IUPAC name of 5-(5-methyl-1-piperidin-4-ylpyrazol-4-yl)-3-phenyl-1,2-oxazole (CID 44580285) is 5-(5-methyl-1-piperidin-4-ylpyrazol-4-yl)-3-phenyl-1,2-oxazole.
What is the SMILES notation for 5-(5-methyl-1-piperidin-4-ylpyrazol-4-yl)-3-phenyl-1,2-oxazole?
The canonical SMILES for 5-(5-methyl-1-piperidin-4-ylpyrazol-4-yl)-3-phenyl-1,2-oxazole is Cc1c(-c2cc(-c3ccccc3)no2)cnn1C1CCNCC1.
What is the InChIKey of 5-(5-methyl-1-piperidin-4-ylpyrazol-4-yl)-3-phenyl-1,2-oxazole?
The InChIKey is XOFIFFNLXAVCSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c1-13-16(12-20-22(13)15-7-9-19-10-8-15)18-11-17(21-23-18)14-5-3-2-4-6-14/h2-6,11-12,15,19H,7-10H2,1H3.
What are the key properties of 5-(5-methyl-1-piperidin-4-ylpyrazol-4-yl)-3-phenyl-1,2-oxazole?
5-(5-methyl-1-piperidin-4-ylpyrazol-4-yl)-3-phenyl-1,2-oxazole has a molecular weight of 308.38 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methyl-1-piperidin-4-ylpyrazol-4-yl)-3-phenyl-1,2-oxazole is sourced from PubChem (CID 44580285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).