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

C18H22N2O4 — CID 135102807

IUPAC3-[3-(2-methoxyethyl)piperidin-1-yl]-5-phenyl-1,2-oxazole-4-carboxylic acid
SMILESCOCCC1CCCN(c2noc(-c3ccccc3)c2C(=O)O)C1
InChIInChI=1S/C18H22N2O4/c1-23-11-9-13-6-5-10-20(12-13)17-15(18(21)22)16(24-19-17)14-7-3-2-4-8-14/h2-4,7-8,13H,5-6,9-12H2,1H3,(H,21,22)
InChIKeyLSZGJXCWIUWFDB-UHFFFAOYSA-N
MW330.38 g/mol
LogP3.29
Rot. Bonds6

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

3-[3-(2-methoxyethyl)piperidin-1-yl]-5-phenyl-1,2-oxazole-4-carboxylic acid (PubChem CID 135102807) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is 3-[3-(2-methoxyethyl)piperidin-1-yl]-5-phenyl-1,2-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name3-[3-(2-methoxyethyl)piperidin-1-yl]-5-phenyl-1,2-oxazole-4-carboxylic acid
PubChem CID135102807
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC Name3-[3-(2-methoxyethyl)piperidin-1-yl]-5-phenyl-1,2-oxazole-4-carboxylic acid
SMILESCOCCC1CCCN(c2noc(-c3ccccc3)c2C(=O)O)C1
InChIInChI=1S/C18H22N2O4/c1-23-11-9-13-6-5-10-20(12-13)17-15(18(21)22)16(24-19-17)14-7-3-2-4-8-14/h2-4,7-8,13H,5-6,9-12H2,1H3,(H,21,22)
InChIKeyLSZGJXCWIUWFDB-UHFFFAOYSA-N
XLogP3.29
TPSA75.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(3R)-3-aminopyrrolidin-1-yl]-5-phenyl-1,2-oxazole-4-carboxylic acid;hydrochloride
CID 171316593
5-(4-methoxyphenyl)-3-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]-1,2-oxazole-4-carboxylic acid
CID 163309584
5-(4-methoxyphenyl)-3-pyrrolidin-1-yl-1,2-oxazole-4-carboxylic acid
CID 139598398
3-[6-[(dimethylamino)methyl]-1,4-oxazepan-4-yl]-5-phenyl-1,2-oxazole-4-carboxylic acid;formic acid
CID 171317391
3-(4-cyclopentyl-3-oxopiperazin-1-yl)-5-phenyl-1,2-oxazole-4-carboxylic acid
CID 163307039
3-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methylamino]-5-phenyl-1,2-oxazole-4-carboxylic acid
CID 166615660
3-[4-(cyclopropylmethyl)-3-(2-hydroxyethyl)piperazin-1-yl]-5-(4-methoxyphenyl)-1,2-oxazole-4-carboxylic acid;formic acid
CID 154916587
3-[(4aS,8aS)-4a-(hydroxymethyl)-1,2,3,4,5,6,8,8a-octahydro-1,7-naphthyridin-7-yl]-5-phenyl-1,2-oxazole-4-carboxylic acid;hydrochloride
CID 171316986
3-[(1R,2S,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]-5-phenyl-1,2-oxazole-4-carboxylic acid
CID 163316915
3-(2-cyclopropylmorpholin-4-yl)-5-(4-methoxyphenyl)-1,2-oxazole-4-carboxylic acid
CID 135088728
5-(4-chlorophenyl)-3-[(3R,4S)-3,4-dihydroxypiperidin-1-yl]-1,2-oxazole-4-carboxylic acid
CID 163306699
N-[[1-(methoxymethyl)cyclobutyl]methyl]-3-morpholin-4-yl-5-phenyl-1,2-oxazole-4-carboxamide
CID 135120437

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-methoxyethyl)piperidin-1-yl]-5-phenyl-1,2-oxazole-4-carboxylic acid?
The IUPAC name of 3-[3-(2-methoxyethyl)piperidin-1-yl]-5-phenyl-1,2-oxazole-4-carboxylic acid (CID 135102807) is 3-[3-(2-methoxyethyl)piperidin-1-yl]-5-phenyl-1,2-oxazole-4-carboxylic acid.
What is the SMILES notation for 3-[3-(2-methoxyethyl)piperidin-1-yl]-5-phenyl-1,2-oxazole-4-carboxylic acid?
The canonical SMILES for 3-[3-(2-methoxyethyl)piperidin-1-yl]-5-phenyl-1,2-oxazole-4-carboxylic acid is COCCC1CCCN(c2noc(-c3ccccc3)c2C(=O)O)C1.
What is the InChIKey of 3-[3-(2-methoxyethyl)piperidin-1-yl]-5-phenyl-1,2-oxazole-4-carboxylic acid?
The InChIKey is LSZGJXCWIUWFDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4/c1-23-11-9-13-6-5-10-20(12-13)17-15(18(21)22)16(24-19-17)14-7-3-2-4-8-14/h2-4,7-8,13H,5-6,9-12H2,1H3,(H,21,22).
What are the key properties of 3-[3-(2-methoxyethyl)piperidin-1-yl]-5-phenyl-1,2-oxazole-4-carboxylic acid?
3-[3-(2-methoxyethyl)piperidin-1-yl]-5-phenyl-1,2-oxazole-4-carboxylic acid has a molecular weight of 330.38 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-methoxyethyl)piperidin-1-yl]-5-phenyl-1,2-oxazole-4-carboxylic acid is sourced from PubChem (CID 135102807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).