3-[3-(1-methylpiperidin-4-yl)phenyl]-1,2-oxazole-5-carboxylic acid

C16H18N2O3 — CID 117461860

IUPAC3-[3-(1-methylpiperidin-4-yl)phenyl]-1,2-oxazole-5-carboxylic acid
SMILESCN1CCC(c2cccc(-c3cc(C(=O)O)on3)c2)CC1
InChIInChI=1S/C16H18N2O3/c1-18-7-5-11(6-8-18)12-3-2-4-13(9-12)14-10-15(16(19)20)21-17-14/h2-4,9-11H,5-8H2,1H3,(H,19,20)
InChIKeyHQNKCQGGBRRYEW-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.85
Rot. Bonds3

About 3-[3-(1-methylpiperidin-4-yl)phenyl]-1,2-oxazole-5-carboxylic acid

3-[3-(1-methylpiperidin-4-yl)phenyl]-1,2-oxazole-5-carboxylic acid (PubChem CID 117461860) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 3-[3-(1-methylpiperidin-4-yl)phenyl]-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name3-[3-(1-methylpiperidin-4-yl)phenyl]-1,2-oxazole-5-carboxylic acid
PubChem CID117461860
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name3-[3-(1-methylpiperidin-4-yl)phenyl]-1,2-oxazole-5-carboxylic acid
SMILESCN1CCC(c2cccc(-c3cc(C(=O)O)on3)c2)CC1
InChIInChI=1S/C16H18N2O3/c1-18-7-5-11(6-8-18)12-3-2-4-13(9-12)14-10-15(16(19)20)21-17-14/h2-4,9-11H,5-8H2,1H3,(H,19,20)
InChIKeyHQNKCQGGBRRYEW-UHFFFAOYSA-N
XLogP2.85
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(1-methylpiperidin-4-yl)phenyl]-1,2-oxazole-5-carboxylic acid
CID 117461861
5-(1-methylpiperidin-4-yl)-3-phenyl-1,2-oxazole
CID 142020572
3-(4-cycloheptylphenyl)-1,2-oxazole-5-carboxylic acid
CID 117459623
3-[3-(2-hydroxypropan-2-yl)phenyl]-1,2-oxazole-5-carboxylic acid
CID 115112539
3-[4-(thian-4-yl)phenyl]-1,2-oxazole-5-carboxylic acid
CID 117467511
2-[3-(1-methylpiperidin-4-yl)phenyl]-2-oxoacetic acid
CID 117370492
2-methyl-3-[3-(1-methylpiperidin-4-yl)phenyl]propanoic acid
CID 117408077
3-[3-chloro-4-(oxan-4-yl)phenyl]-1,2-oxazole-5-carboxylic acid
CID 117492610
3-[3-(difluoromethyl)phenyl]-1,2-oxazole-5-carboxylic acid
CID 115527352
3-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-1,2-oxazole-5-carboxylic acid
CID 55035014
3-[3-(1-methoxycyclopropyl)phenyl]-1,2-oxazole-5-carboxylic acid
CID 115112561
[4-(1-methylimidazol-2-yl)piperidin-1-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone
CID 70761884

Frequently Asked Questions

What is the IUPAC name of 3-[3-(1-methylpiperidin-4-yl)phenyl]-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 3-[3-(1-methylpiperidin-4-yl)phenyl]-1,2-oxazole-5-carboxylic acid (CID 117461860) is 3-[3-(1-methylpiperidin-4-yl)phenyl]-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 3-[3-(1-methylpiperidin-4-yl)phenyl]-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 3-[3-(1-methylpiperidin-4-yl)phenyl]-1,2-oxazole-5-carboxylic acid is CN1CCC(c2cccc(-c3cc(C(=O)O)on3)c2)CC1.
What is the InChIKey of 3-[3-(1-methylpiperidin-4-yl)phenyl]-1,2-oxazole-5-carboxylic acid?
The InChIKey is HQNKCQGGBRRYEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-18-7-5-11(6-8-18)12-3-2-4-13(9-12)14-10-15(16(19)20)21-17-14/h2-4,9-11H,5-8H2,1H3,(H,19,20).
What are the key properties of 3-[3-(1-methylpiperidin-4-yl)phenyl]-1,2-oxazole-5-carboxylic acid?
3-[3-(1-methylpiperidin-4-yl)phenyl]-1,2-oxazole-5-carboxylic acid has a molecular weight of 286.33 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(1-methylpiperidin-4-yl)phenyl]-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 117461860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).