4-[1-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-1H-pyrazole-5-carboxylic acid

C19H19ClN4O3 — CID 167904037

IUPAC4-[1-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-1H-pyrazole-5-carboxylic acid
SMILESO=C(O)c1[nH]ncc1C1CCN(Cc2cc(-c3ccc(Cl)cc3)on2)CC1
InChIInChI=1S/C19H19ClN4O3/c20-14-3-1-13(2-4-14)17-9-15(23-27-17)11-24-7-5-12(6-8-24)16-10-21-22-18(16)19(25)26/h1-4,9-10,12H,5-8,11H2,(H,21,22)(H,25,26)
InChIKeyFDWTTXFLLWCFEH-UHFFFAOYSA-N
MW386.84 g/mol
LogP3.80
Rot. Bonds5

About 4-[1-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-1H-pyrazole-5-carboxylic acid

4-[1-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-1H-pyrazole-5-carboxylic acid (PubChem CID 167904037) has the molecular formula C19H19ClN4O3 and a molecular weight of 386.84 g/mol. Its IUPAC name is 4-[1-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-1H-pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name4-[1-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-1H-pyrazole-5-carboxylic acid
PubChem CID167904037
Molecular FormulaC19H19ClN4O3
Molecular Weight386.84 g/mol
Exact Mass386.11
IUPAC Name4-[1-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-1H-pyrazole-5-carboxylic acid
SMILESO=C(O)c1[nH]ncc1C1CCN(Cc2cc(-c3ccc(Cl)cc3)on2)CC1
InChIInChI=1S/C19H19ClN4O3/c20-14-3-1-13(2-4-14)17-9-15(23-27-17)11-24-7-5-12(6-8-24)16-10-21-22-18(16)19(25)26/h1-4,9-10,12H,5-8,11H2,(H,21,22)(H,25,26)
InChIKeyFDWTTXFLLWCFEH-UHFFFAOYSA-N
XLogP3.80
TPSA95.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.84
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-1H-pyrazole-5-carboxylic acid?
The IUPAC name of 4-[1-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-1H-pyrazole-5-carboxylic acid (CID 167904037) is 4-[1-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-1H-pyrazole-5-carboxylic acid.
What is the SMILES notation for 4-[1-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-1H-pyrazole-5-carboxylic acid?
The canonical SMILES for 4-[1-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-1H-pyrazole-5-carboxylic acid is O=C(O)c1[nH]ncc1C1CCN(Cc2cc(-c3ccc(Cl)cc3)on2)CC1.
What is the InChIKey of 4-[1-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-1H-pyrazole-5-carboxylic acid?
The InChIKey is FDWTTXFLLWCFEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O3/c20-14-3-1-13(2-4-14)17-9-15(23-27-17)11-24-7-5-12(6-8-24)16-10-21-22-18(16)19(25)26/h1-4,9-10,12H,5-8,11H2,(H,21,22)(H,25,26).
What are the key properties of 4-[1-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-1H-pyrazole-5-carboxylic acid?
4-[1-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-1H-pyrazole-5-carboxylic acid has a molecular weight of 386.84 g/mol, XLogP of 3.80, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-1H-pyrazole-5-carboxylic acid is sourced from PubChem (CID 167904037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).