1-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methyl]pyrrolidine-3-carboxylic acid

C15H15ClN2O3 — CID 63031516

IUPAC1-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methyl]pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(Cc2coc(-c3ccc(Cl)cc3)n2)C1
InChIInChI=1S/C15H15ClN2O3/c16-12-3-1-10(2-4-12)14-17-13(9-21-14)8-18-6-5-11(7-18)15(19)20/h1-4,9,11H,5-8H2,(H,19,20)
InChIKeyBXMNWNKUPZWIQD-UHFFFAOYSA-N
MW306.75 g/mol
LogP2.90
Rot. Bonds4

About 1-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methyl]pyrrolidine-3-carboxylic acid

1-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methyl]pyrrolidine-3-carboxylic acid (PubChem CID 63031516) has the molecular formula C15H15ClN2O3 and a molecular weight of 306.75 g/mol. Its IUPAC name is 1-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methyl]pyrrolidine-3-carboxylic acid
PubChem CID63031516
Molecular FormulaC15H15ClN2O3
Molecular Weight306.75 g/mol
Exact Mass306.08
IUPAC Name1-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methyl]pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(Cc2coc(-c3ccc(Cl)cc3)n2)C1
InChIInChI=1S/C15H15ClN2O3/c16-12-3-1-10(2-4-12)14-17-13(9-21-14)8-18-6-5-11(7-18)15(19)20/h1-4,9,11H,5-8H2,(H,19,20)
InChIKeyBXMNWNKUPZWIQD-UHFFFAOYSA-N
XLogP2.90
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.75
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-[2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]acetyl]pyrrolidine-3-carboxylic acid
CID 124703265
(3R)-1-[[2-(3,4-difluorophenyl)-1,3-oxazol-4-yl]methyl]piperidine-3-carboxylic acid
CID 129394063
1-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methyl]pyrrolidine-3,4-diol
CID 106672993
1-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]piperidine-4-carboxylic acid;hydrochloride
CID 119907388
1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-3-carboxylic acid
CID 63030665
2-(4-chlorophenyl)-4-[(3-methylpiperazin-1-yl)methyl]-1,3-oxazole;hydrochloride
CID 119924520
1-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]pyrrolidine-3-carboxylic acid
CID 63030493
1-[1-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methyl]piperidin-3-yl]-N-methylmethanamine
CID 119914648
2-(4-chlorophenyl)-4-[(4-cyclohexylpiperazin-1-yl)methyl]-1,3-oxazole
CID 73387385
(3R)-N-(5-chloro-2-pyridinyl)-1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]piperidine-3-carboxamide
CID 51961377
1-[[2-[(4-chlorophenyl)methyl]-1,3-thiazol-4-yl]methyl]pyrrolidine-3-carboxylic acid
CID 119904916
2-(4-chlorophenyl)-4-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3-oxazole
CID 51104412

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methyl]pyrrolidine-3-carboxylic acid (CID 63031516) is 1-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methyl]pyrrolidine-3-carboxylic acid is O=C(O)C1CCN(Cc2coc(-c3ccc(Cl)cc3)n2)C1.
What is the InChIKey of 1-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methyl]pyrrolidine-3-carboxylic acid?
The InChIKey is BXMNWNKUPZWIQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O3/c16-12-3-1-10(2-4-12)14-17-13(9-21-14)8-18-6-5-11(7-18)15(19)20/h1-4,9,11H,5-8H2,(H,19,20).
What are the key properties of 1-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methyl]pyrrolidine-3-carboxylic acid?
1-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methyl]pyrrolidine-3-carboxylic acid has a molecular weight of 306.75 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63031516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).