1-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]pyrrolidine-3-carboxylic acid

C15H15ClN2O3 — CID 63030493

IUPAC1-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(Cc2ncc(-c3ccc(Cl)cc3)o2)C1
InChIInChI=1S/C15H15ClN2O3/c16-12-3-1-10(2-4-12)13-7-17-14(21-13)9-18-6-5-11(8-18)15(19)20/h1-4,7,11H,5-6,8-9H2,(H,19,20)
InChIKeyGBUZRXIMTQGJNW-UHFFFAOYSA-N
MW306.75 g/mol
LogP2.90
Rot. Bonds4

About 1-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]pyrrolidine-3-carboxylic acid

1-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]pyrrolidine-3-carboxylic acid (PubChem CID 63030493) has the molecular formula C15H15ClN2O3 and a molecular weight of 306.75 g/mol. Its IUPAC name is 1-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]pyrrolidine-3-carboxylic acid
PubChem CID63030493
Molecular FormulaC15H15ClN2O3
Molecular Weight306.75 g/mol
Exact Mass306.08
IUPAC Name1-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(Cc2ncc(-c3ccc(Cl)cc3)o2)C1
InChIInChI=1S/C15H15ClN2O3/c16-12-3-1-10(2-4-12)13-7-17-14(21-13)9-18-6-5-11(8-18)15(19)20/h1-4,7,11H,5-6,8-9H2,(H,19,20)
InChIKeyGBUZRXIMTQGJNW-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

(3R)-1-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]piperidine-3-carboxylic acid
CID 125149368
1-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-N-methylpiperidine-4-carboxamide
CID 42542755
1-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-N-phenylpiperidine-4-carboxamide
CID 18089162
1-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methyl]piperidine-4-carboxylic acid
CID 119906619
[1-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]pyrrolidin-3-yl]methanamine
CID 62062017
1-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl]piperidine-4-carboxylic acid
CID 119907230
1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-3-carboxylic acid
CID 63030665
1-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl]pyrrolidine-3-carboxamide
CID 48632204
1-[3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanoyl]-6-methylpiperidine-3-carboxylic acid
CID 122113304
1-[[5-(3-bromophenyl)-1,3-oxazol-2-yl]methyl]piperidine-4-carboxylic acid
CID 119907505
1-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methyl]pyrrolidine-3-carboxylic acid
CID 63031516
1-[[5-(3,4-dichlorophenyl)furan-2-yl]methyl]pyrrolidine-3-carboxylic acid
CID 122036293

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]pyrrolidine-3-carboxylic acid (CID 63030493) is 1-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]pyrrolidine-3-carboxylic acid is O=C(O)C1CCN(Cc2ncc(-c3ccc(Cl)cc3)o2)C1.
What is the InChIKey of 1-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]pyrrolidine-3-carboxylic acid?
The InChIKey is GBUZRXIMTQGJNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O3/c16-12-3-1-10(2-4-12)13-7-17-14(21-13)9-18-6-5-11(8-18)15(19)20/h1-4,7,11H,5-6,8-9H2,(H,19,20).
What are the key properties of 1-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]pyrrolidine-3-carboxylic acid?
1-[[5-(4-chlorophenyl)-1,3-oxazol-2-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-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63030493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).