5-(4-fluoro-3-methoxyphenyl)-3-[3-(1H-pyrazol-5-yl)piperidin-1-yl]-1,2-oxazole-4-carboxylic acid

C19H19FN4O4 — CID 137338812

IUPAC5-(4-fluoro-3-methoxyphenyl)-3-[3-(1H-pyrazol-5-yl)piperidin-1-yl]-1,2-oxazole-4-carboxylic acid
SMILESCOc1cc(-c2onc(N3CCCC(c4ccn[nH]4)C3)c2C(=O)O)ccc1F
InChIInChI=1S/C19H19FN4O4/c1-27-15-9-11(4-5-13(15)20)17-16(19(25)26)18(23-28-17)24-8-2-3-12(10-24)14-6-7-21-22-14/h4-7,9,12H,2-3,8,10H2,1H3,(H,21,22)(H,25,26)
InChIKeyQGWMHTMOSAZOHV-UHFFFAOYSA-N
MW386.38 g/mol
LogP3.29
Rot. Bonds5

About 5-(4-fluoro-3-methoxyphenyl)-3-[3-(1H-pyrazol-5-yl)piperidin-1-yl]-1,2-oxazole-4-carboxylic acid

5-(4-fluoro-3-methoxyphenyl)-3-[3-(1H-pyrazol-5-yl)piperidin-1-yl]-1,2-oxazole-4-carboxylic acid (PubChem CID 137338812) has the molecular formula C19H19FN4O4 and a molecular weight of 386.38 g/mol. Its IUPAC name is 5-(4-fluoro-3-methoxyphenyl)-3-[3-(1H-pyrazol-5-yl)piperidin-1-yl]-1,2-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(4-fluoro-3-methoxyphenyl)-3-[3-(1H-pyrazol-5-yl)piperidin-1-yl]-1,2-oxazole-4-carboxylic acid
PubChem CID137338812
Molecular FormulaC19H19FN4O4
Molecular Weight386.38 g/mol
Exact Mass386.14
IUPAC Name5-(4-fluoro-3-methoxyphenyl)-3-[3-(1H-pyrazol-5-yl)piperidin-1-yl]-1,2-oxazole-4-carboxylic acid
SMILESCOc1cc(-c2onc(N3CCCC(c4ccn[nH]4)C3)c2C(=O)O)ccc1F
InChIInChI=1S/C19H19FN4O4/c1-27-15-9-11(4-5-13(15)20)17-16(19(25)26)18(23-28-17)24-8-2-3-12(10-24)14-6-7-21-22-14/h4-7,9,12H,2-3,8,10H2,1H3,(H,21,22)(H,25,26)
InChIKeyQGWMHTMOSAZOHV-UHFFFAOYSA-N
XLogP3.29
TPSA104.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.38
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluoro-3-methoxyphenyl)-3-[3-(1H-pyrazol-5-yl)piperidin-1-yl]-1,2-oxazole-4-carboxylic acid?
The IUPAC name of 5-(4-fluoro-3-methoxyphenyl)-3-[3-(1H-pyrazol-5-yl)piperidin-1-yl]-1,2-oxazole-4-carboxylic acid (CID 137338812) is 5-(4-fluoro-3-methoxyphenyl)-3-[3-(1H-pyrazol-5-yl)piperidin-1-yl]-1,2-oxazole-4-carboxylic acid.
What is the SMILES notation for 5-(4-fluoro-3-methoxyphenyl)-3-[3-(1H-pyrazol-5-yl)piperidin-1-yl]-1,2-oxazole-4-carboxylic acid?
The canonical SMILES for 5-(4-fluoro-3-methoxyphenyl)-3-[3-(1H-pyrazol-5-yl)piperidin-1-yl]-1,2-oxazole-4-carboxylic acid is COc1cc(-c2onc(N3CCCC(c4ccn[nH]4)C3)c2C(=O)O)ccc1F.
What is the InChIKey of 5-(4-fluoro-3-methoxyphenyl)-3-[3-(1H-pyrazol-5-yl)piperidin-1-yl]-1,2-oxazole-4-carboxylic acid?
The InChIKey is QGWMHTMOSAZOHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O4/c1-27-15-9-11(4-5-13(15)20)17-16(19(25)26)18(23-28-17)24-8-2-3-12(10-24)14-6-7-21-22-14/h4-7,9,12H,2-3,8,10H2,1H3,(H,21,22)(H,25,26).
What are the key properties of 5-(4-fluoro-3-methoxyphenyl)-3-[3-(1H-pyrazol-5-yl)piperidin-1-yl]-1,2-oxazole-4-carboxylic acid?
5-(4-fluoro-3-methoxyphenyl)-3-[3-(1H-pyrazol-5-yl)piperidin-1-yl]-1,2-oxazole-4-carboxylic acid has a molecular weight of 386.38 g/mol, XLogP of 3.29, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluoro-3-methoxyphenyl)-3-[3-(1H-pyrazol-5-yl)piperidin-1-yl]-1,2-oxazole-4-carboxylic acid is sourced from PubChem (CID 137338812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).