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

C15H16N2O4 — CID 139598398

IUPAC5-(4-methoxyphenyl)-3-pyrrolidin-1-yl-1,2-oxazole-4-carboxylic acid
SMILESCOc1ccc(-c2onc(N3CCCC3)c2C(=O)O)cc1
InChIInChI=1S/C15H16N2O4/c1-20-11-6-4-10(5-7-11)13-12(15(18)19)14(16-21-13)17-8-2-3-9-17/h4-7H,2-3,8-9H2,1H3,(H,18,19)
InChIKeyXAMLOPHIIXZLSU-UHFFFAOYSA-N
MW288.30 g/mol
LogP2.65
Rot. Bonds4

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

5-(4-methoxyphenyl)-3-pyrrolidin-1-yl-1,2-oxazole-4-carboxylic acid (PubChem CID 139598398) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-3-pyrrolidin-1-yl-1,2-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-3-pyrrolidin-1-yl-1,2-oxazole-4-carboxylic acid
PubChem CID139598398
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Name5-(4-methoxyphenyl)-3-pyrrolidin-1-yl-1,2-oxazole-4-carboxylic acid
SMILESCOc1ccc(-c2onc(N3CCCC3)c2C(=O)O)cc1
InChIInChI=1S/C15H16N2O4/c1-20-11-6-4-10(5-7-11)13-12(15(18)19)14(16-21-13)17-8-2-3-9-17/h4-7H,2-3,8-9H2,1H3,(H,18,19)
InChIKeyXAMLOPHIIXZLSU-UHFFFAOYSA-N
XLogP2.65
TPSA75.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-methoxyphenyl)-3-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]-1,2-oxazole-4-carboxylic acid
CID 163309584
N-cycloheptyl-5-(4-methoxyphenyl)-3-pyrrolidin-1-yl-1,2-oxazole-4-carboxamide
CID 135117222
5-(4-methoxyphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)-3-pyrrolidin-1-yl-1,2-oxazole-4-carboxamide
CID 135094494
2-azaspiro[4.4]nonan-2-yl-[5-(4-methoxyphenyl)-3-pyrrolidin-1-yl-1,2-oxazol-4-yl]methanone
CID 135118686
[(3S)-3-aminopyrrolidin-1-yl]-[5-(4-methoxyphenyl)-3-pyrrolidin-1-yl-1,2-oxazol-4-yl]methanone
CID 135095143
3-(2-cyclopropylmorpholin-4-yl)-5-(4-methoxyphenyl)-1,2-oxazole-4-carboxylic acid
CID 135088728
[3-(hydroxymethyl)pyrrolidin-1-yl]-[5-(4-methoxyphenyl)-3-pyrrolidin-1-yl-1,2-oxazol-4-yl]methanone
CID 135115014
5-(4-methoxyphenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-pyrrolidin-1-yl-1,2-oxazole-4-carboxamide
CID 135092544
N-(1-hydroxypentan-2-yl)-5-(4-methoxyphenyl)-3-pyrrolidin-1-yl-1,2-oxazole-4-carboxamide
CID 135108263
5-(4-methoxyphenyl)-N-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-3-pyrrolidin-1-yl-1,2-oxazole-4-carboxamide
CID 135092868
5-(4-methoxyphenyl)-3-(6-methylsulfanyl-3,4-dihydro-1H-isoquinolin-2-yl)-1,2-oxazole-4-carboxylic acid
CID 163305439
[5-(4-methoxyphenyl)-3-pyrrolidin-1-yl-1,2-oxazol-4-yl]-(3-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methanone
CID 135094099

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-3-pyrrolidin-1-yl-1,2-oxazole-4-carboxylic acid?
The IUPAC name of 5-(4-methoxyphenyl)-3-pyrrolidin-1-yl-1,2-oxazole-4-carboxylic acid (CID 139598398) is 5-(4-methoxyphenyl)-3-pyrrolidin-1-yl-1,2-oxazole-4-carboxylic acid.
What is the SMILES notation for 5-(4-methoxyphenyl)-3-pyrrolidin-1-yl-1,2-oxazole-4-carboxylic acid?
The canonical SMILES for 5-(4-methoxyphenyl)-3-pyrrolidin-1-yl-1,2-oxazole-4-carboxylic acid is COc1ccc(-c2onc(N3CCCC3)c2C(=O)O)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-3-pyrrolidin-1-yl-1,2-oxazole-4-carboxylic acid?
The InChIKey is XAMLOPHIIXZLSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4/c1-20-11-6-4-10(5-7-11)13-12(15(18)19)14(16-21-13)17-8-2-3-9-17/h4-7H,2-3,8-9H2,1H3,(H,18,19).
What are the key properties of 5-(4-methoxyphenyl)-3-pyrrolidin-1-yl-1,2-oxazole-4-carboxylic acid?
5-(4-methoxyphenyl)-3-pyrrolidin-1-yl-1,2-oxazole-4-carboxylic acid has a molecular weight of 288.30 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-3-pyrrolidin-1-yl-1,2-oxazole-4-carboxylic acid is sourced from PubChem (CID 139598398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).