[5-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-3-yl]-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]methanone

C21H23FN4O3 — CID 46971896

IUPAC[5-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-3-yl]-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]methanone
SMILESCc1c(-c2cc(C(=O)N3CCCC(COc4ccc(F)cc4)C3)no2)cnn1C
InChIInChI=1S/C21H23FN4O3/c1-14-18(11-23-25(14)2)20-10-19(24-29-20)21(27)26-9-3-4-15(12-26)13-28-17-7-5-16(22)6-8-17/h5-8,10-11,15H,3-4,9,12-13H2,1-2H3
InChIKeyLAEKEKMDETZAHV-UHFFFAOYSA-N
MW398.44 g/mol
LogP3.45
Rot. Bonds5

About [5-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-3-yl]-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]methanone

[5-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-3-yl]-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]methanone (PubChem CID 46971896) has the molecular formula C21H23FN4O3 and a molecular weight of 398.44 g/mol. Its IUPAC name is [5-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-3-yl]-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name[5-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-3-yl]-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]methanone
PubChem CID46971896
Molecular FormulaC21H23FN4O3
Molecular Weight398.44 g/mol
Exact Mass398.18
IUPAC Name[5-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-3-yl]-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]methanone
SMILESCc1c(-c2cc(C(=O)N3CCCC(COc4ccc(F)cc4)C3)no2)cnn1C
InChIInChI=1S/C21H23FN4O3/c1-14-18(11-23-25(14)2)20-10-19(24-29-20)21(27)26-9-3-4-15(12-26)13-28-17-7-5-16(22)6-8-17/h5-8,10-11,15H,3-4,9,12-13H2,1-2H3
InChIKeyLAEKEKMDETZAHV-UHFFFAOYSA-N
XLogP3.45
TPSA73.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.44
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [5-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-3-yl]-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]methanone with MolForge

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Related Compounds

N-(1-((3,5-dimethylisoxazol-4-yl)methyl)-1H-pyrazol-4-yl)-3-methoxybenzamide
CID 25206166
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-4-methoxybenzamide
CID 57945012
N-[1-(4-fluorobenzyl)-1H-pyrazol-4-yl]-5-(3-methoxyphenyl)isoxazole-3-carboxamide
CID 3238250
5-(3-methoxyphenyl)-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide
CID 3243257
5-[(2,6-difluorophenoxy)methyl]-N-[2-(1-phenyl-1H-pyrazol-4-yl)ethyl]isoxazole-3-carboxamide
CID 16188528
5-[(2,6-difluorophenoxy)methyl]-N-[(1,5-dimethyl-1H-pyrazol-3-yl)methyl]isoxazole-3-carboxamide
CID 16190047
5-[(2,4-difluorophenoxy)methyl]-N-ethyl-N-[(1-methyl-1H-pyrazol-4-yl)methyl]isoxazole-3-carboxamide
CID 16190361
5-[(2,6-difluorophenoxy)methyl]-N-ethyl-N-[2-(1H-pyrazol-1-yl)ethyl]-3-isoxazolecarboxamide
CID 16190599
(1-isoxazol-3-ylethyl)methyl{[1-methyl-3-(4-phenoxyphenyl)-1H-pyrazol-4-yl]methyl}amine
CID 16190753
5-[(2,6-difluorophenoxy)methyl]-N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-1-methylethyl]-3-isoxazolecarboxamide
CID 16190911
5-[(2,6-difluorophenoxy)methyl]-N-[1-(1-phenyl-1H-pyrazol-4-yl)ethyl]isoxazole-3-carboxamide
CID 16192015
5-[(2,6-difluorophenoxy)methyl]-N-[3-(1H-indazol-1-yl)propyl]isoxazole-3-carboxamide
CID 16192423

Frequently Asked Questions

What is the IUPAC name of [5-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-3-yl]-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]methanone?
The IUPAC name of [5-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-3-yl]-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]methanone (CID 46971896) is [5-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-3-yl]-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]methanone.
What is the SMILES notation for [5-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-3-yl]-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]methanone?
The canonical SMILES for [5-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-3-yl]-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]methanone is Cc1c(-c2cc(C(=O)N3CCCC(COc4ccc(F)cc4)C3)no2)cnn1C.
What is the InChIKey of [5-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-3-yl]-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]methanone?
The InChIKey is LAEKEKMDETZAHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4O3/c1-14-18(11-23-25(14)2)20-10-19(24-29-20)21(27)26-9-3-4-15(12-26)13-28-17-7-5-16(22)6-8-17/h5-8,10-11,15H,3-4,9,12-13H2,1-2H3.
What are the key properties of [5-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-3-yl]-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]methanone?
[5-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-3-yl]-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]methanone has a molecular weight of 398.44 g/mol, XLogP of 3.45, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-3-yl]-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 46971896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).