3-(pyrrolidine-1-carbonyl)-1,2-oxazole-5-carboxylic acid

C9H10N2O4 — CID 107368970

IUPAC3-(pyrrolidine-1-carbonyl)-1,2-oxazole-5-carboxylic acid
SMILESO=C(O)c1cc(C(=O)N2CCCC2)no1
InChIInChI=1S/C9H10N2O4/c12-8(11-3-1-2-4-11)6-5-7(9(13)14)15-10-6/h5H,1-4H2,(H,13,14)
InChIKeyWDFDNNLIRYNBNC-UHFFFAOYSA-N
MW210.19 g/mol
LogP0.61
Rot. Bonds2

About 3-(pyrrolidine-1-carbonyl)-1,2-oxazole-5-carboxylic acid

3-(pyrrolidine-1-carbonyl)-1,2-oxazole-5-carboxylic acid (PubChem CID 107368970) has the molecular formula C9H10N2O4 and a molecular weight of 210.19 g/mol. Its IUPAC name is 3-(pyrrolidine-1-carbonyl)-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(pyrrolidine-1-carbonyl)-1,2-oxazole-5-carboxylic acid
PubChem CID107368970
Molecular FormulaC9H10N2O4
Molecular Weight210.19 g/mol
Exact Mass210.06
IUPAC Name3-(pyrrolidine-1-carbonyl)-1,2-oxazole-5-carboxylic acid
SMILESO=C(O)c1cc(C(=O)N2CCCC2)no1
InChIInChI=1S/C9H10N2O4/c12-8(11-3-1-2-4-11)6-5-7(9(13)14)15-10-6/h5H,1-4H2,(H,13,14)
InChIKeyWDFDNNLIRYNBNC-UHFFFAOYSA-N
XLogP0.61
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.19
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(pyrrolidine-1-carbonyl)-1,2-oxazole-5-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4-acetyl-1,4-diazepane-1-carbonyl)-1,2-oxazole-5-carboxylic acid
CID 107369448
3-(4-methylpiperazine-1-carbonyl)-1,2-oxazole-5-carboxylic acid
CID 107368983
3-(3,4-dihydroxypyrrolidine-1-carbonyl)-1,2-oxazole-5-carboxylic acid
CID 107370093
3-(4-propylpiperazine-1-carbonyl)-1,2-oxazole-5-carboxylic acid
CID 107368967
3-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonyl)-1,2-oxazole-5-carboxylic acid
CID 107369765
3-[3-(methoxymethyl)piperidine-1-carbonyl]-1,2-oxazole-5-carboxylic acid
CID 107370092
3-(2-methylazepane-1-carbonyl)-1,2-oxazole-5-carboxylic acid
CID 107369689
pyrrolidin-1-yl-[5-[(E)-2-pyrrolidin-1-ylethenyl]-1,2-oxazol-3-yl]methanone
CID 146613852
5-(morpholine-4-carbonyl)-1,2-oxazole-3-carboxylic acid
CID 117218072
benzene;1,2-oxazol-3-yl(pyrrolidin-1-yl)methanone
CID 167484647
3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carbonyl)-1,2-oxazole-5-carboxylic acid
CID 107369466
azepan-1-yl-[5-(4-hydroxyphenyl)-1,2-oxazol-3-yl]methanone
CID 135573124

Frequently Asked Questions

What is the IUPAC name of 3-(pyrrolidine-1-carbonyl)-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 3-(pyrrolidine-1-carbonyl)-1,2-oxazole-5-carboxylic acid (CID 107368970) is 3-(pyrrolidine-1-carbonyl)-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 3-(pyrrolidine-1-carbonyl)-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 3-(pyrrolidine-1-carbonyl)-1,2-oxazole-5-carboxylic acid is O=C(O)c1cc(C(=O)N2CCCC2)no1.
What is the InChIKey of 3-(pyrrolidine-1-carbonyl)-1,2-oxazole-5-carboxylic acid?
The InChIKey is WDFDNNLIRYNBNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O4/c12-8(11-3-1-2-4-11)6-5-7(9(13)14)15-10-6/h5H,1-4H2,(H,13,14).
What are the key properties of 3-(pyrrolidine-1-carbonyl)-1,2-oxazole-5-carboxylic acid?
3-(pyrrolidine-1-carbonyl)-1,2-oxazole-5-carboxylic acid has a molecular weight of 210.19 g/mol, XLogP of 0.61, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(pyrrolidine-1-carbonyl)-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 107368970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).