5-(4-fluoro-3-methoxyphenyl)-3-(4-methylpiperidin-1-yl)-1,2-oxazole-4-carboxylic acid

C17H19FN2O4 — CID 135106143

IUPAC5-(4-fluoro-3-methoxyphenyl)-3-(4-methylpiperidin-1-yl)-1,2-oxazole-4-carboxylic acid
SMILESCOc1cc(-c2onc(N3CCC(C)CC3)c2C(=O)O)ccc1F
InChIInChI=1S/C17H19FN2O4/c1-10-5-7-20(8-6-10)16-14(17(21)22)15(24-19-16)11-3-4-12(18)13(9-11)23-2/h3-4,9-10H,5-8H2,1-2H3,(H,21,22)
InChIKeyPRGRPZWDNCMIIX-UHFFFAOYSA-N
MW334.35 g/mol
LogP3.42
Rot. Bonds4

About 5-(4-fluoro-3-methoxyphenyl)-3-(4-methylpiperidin-1-yl)-1,2-oxazole-4-carboxylic acid

5-(4-fluoro-3-methoxyphenyl)-3-(4-methylpiperidin-1-yl)-1,2-oxazole-4-carboxylic acid (PubChem CID 135106143) has the molecular formula C17H19FN2O4 and a molecular weight of 334.35 g/mol. Its IUPAC name is 5-(4-fluoro-3-methoxyphenyl)-3-(4-methylpiperidin-1-yl)-1,2-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(4-fluoro-3-methoxyphenyl)-3-(4-methylpiperidin-1-yl)-1,2-oxazole-4-carboxylic acid
PubChem CID135106143
Molecular FormulaC17H19FN2O4
Molecular Weight334.35 g/mol
Exact Mass334.13
IUPAC Name5-(4-fluoro-3-methoxyphenyl)-3-(4-methylpiperidin-1-yl)-1,2-oxazole-4-carboxylic acid
SMILESCOc1cc(-c2onc(N3CCC(C)CC3)c2C(=O)O)ccc1F
InChIInChI=1S/C17H19FN2O4/c1-10-5-7-20(8-6-10)16-14(17(21)22)15(24-19-16)11-3-4-12(18)13(9-11)23-2/h3-4,9-10H,5-8H2,1-2H3,(H,21,22)
InChIKeyPRGRPZWDNCMIIX-UHFFFAOYSA-N
XLogP3.42
TPSA75.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.35
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-fluoro-3-methoxyphenyl)-3-[(1R,6S)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]-1,2-oxazole-4-carboxylic acid
CID 137337650
5-(4-fluoro-3-methoxyphenyl)-3-[4-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-1,2-oxazole-4-carboxylic acid
CID 135091351
3-[(3aS,5S,6R,7aR)-5,6-dihydroxy-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-5-(4-fluoro-3-methoxyphenyl)-1,2-oxazole-4-carboxylic acid
CID 135095916
5-(4-fluoro-3-methoxyphenyl)-3-[3-(4-methylpiperazin-1-yl)pyrrolidin-1-yl]-1,2-oxazole-4-carboxylic acid
CID 135103154
5-(4-fluoro-3-methoxyphenyl)-3-(5-methyl-6-oxo-2,5,7-triazaspiro[3.4]octan-2-yl)-1,2-oxazole-4-carboxylic acid
CID 164693593
5-(4-fluoro-3-methoxyphenyl)-3-[3-(1H-pyrazol-5-yl)piperidin-1-yl]-1,2-oxazole-4-carboxylic acid
CID 137338812
3-(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-5-(4-fluoro-3-methoxyphenyl)-1,2-oxazole-4-carboxylic acid
CID 162634379
3-[(4-aminocyclohexyl)amino]-5-(4-fluoro-3-methoxyphenyl)-1,2-oxazole-4-carboxylic acid
CID 137335645
5-(4-fluoro-3-methoxyphenyl)-3-[[(2R,4S)-2-methylpiperidin-4-yl]amino]-1,2-oxazole-4-carboxylic acid;hydrochloride
CID 154916444
3-[[(1R,2R)-2-(dimethylamino)cyclopentyl]amino]-5-(4-fluoro-3-methoxyphenyl)-1,2-oxazole-4-carboxylic acid
CID 135108261
5-(4-methoxyphenyl)-3-pyrrolidin-1-yl-1,2-oxazole-4-carboxylic acid
CID 139598398
5-(4-fluoro-3-methoxyphenyl)-3-[2-[4-(hydroxymethyl)piperidin-1-yl]ethylamino]-1,2-oxazole-4-carboxylic acid
CID 135091251

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluoro-3-methoxyphenyl)-3-(4-methylpiperidin-1-yl)-1,2-oxazole-4-carboxylic acid?
The IUPAC name of 5-(4-fluoro-3-methoxyphenyl)-3-(4-methylpiperidin-1-yl)-1,2-oxazole-4-carboxylic acid (CID 135106143) is 5-(4-fluoro-3-methoxyphenyl)-3-(4-methylpiperidin-1-yl)-1,2-oxazole-4-carboxylic acid.
What is the SMILES notation for 5-(4-fluoro-3-methoxyphenyl)-3-(4-methylpiperidin-1-yl)-1,2-oxazole-4-carboxylic acid?
The canonical SMILES for 5-(4-fluoro-3-methoxyphenyl)-3-(4-methylpiperidin-1-yl)-1,2-oxazole-4-carboxylic acid is COc1cc(-c2onc(N3CCC(C)CC3)c2C(=O)O)ccc1F.
What is the InChIKey of 5-(4-fluoro-3-methoxyphenyl)-3-(4-methylpiperidin-1-yl)-1,2-oxazole-4-carboxylic acid?
The InChIKey is PRGRPZWDNCMIIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O4/c1-10-5-7-20(8-6-10)16-14(17(21)22)15(24-19-16)11-3-4-12(18)13(9-11)23-2/h3-4,9-10H,5-8H2,1-2H3,(H,21,22).
What are the key properties of 5-(4-fluoro-3-methoxyphenyl)-3-(4-methylpiperidin-1-yl)-1,2-oxazole-4-carboxylic acid?
5-(4-fluoro-3-methoxyphenyl)-3-(4-methylpiperidin-1-yl)-1,2-oxazole-4-carboxylic acid has a molecular weight of 334.35 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluoro-3-methoxyphenyl)-3-(4-methylpiperidin-1-yl)-1,2-oxazole-4-carboxylic acid is sourced from PubChem (CID 135106143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).