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

C9H10N2O4 — CID 63032522

IUPAC1-(1,2-oxazole-3-carbonyl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)c2ccon2)C1
InChIInChI=1S/C9H10N2O4/c12-8(7-2-4-15-10-7)11-3-1-6(5-11)9(13)14/h2,4,6H,1,3,5H2,(H,13,14)
InChIKeyWSGBUPPRWFRLAH-UHFFFAOYSA-N
MW210.19 g/mol
LogP0.22
Rot. Bonds2

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

1-(1,2-oxazole-3-carbonyl)pyrrolidine-3-carboxylic acid (PubChem CID 63032522) has the molecular formula C9H10N2O4 and a molecular weight of 210.19 g/mol. Its IUPAC name is 1-(1,2-oxazole-3-carbonyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(1,2-oxazole-3-carbonyl)pyrrolidine-3-carboxylic acid
PubChem CID63032522
Molecular FormulaC9H10N2O4
Molecular Weight210.19 g/mol
Exact Mass210.06
IUPAC Name1-(1,2-oxazole-3-carbonyl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)c2ccon2)C1
InChIInChI=1S/C9H10N2O4/c12-8(7-2-4-15-10-7)11-3-1-6(5-11)9(13)14/h2,4,6H,1,3,5H2,(H,13,14)
InChIKeyWSGBUPPRWFRLAH-UHFFFAOYSA-N
XLogP0.22
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 ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

benzene;1,2-oxazol-3-yl(pyrrolidin-1-yl)methanone
CID 167484647
[3-(2-hydroxyethyl)pyrrolidin-1-yl]-(1,2-oxazol-3-yl)methanone
CID 115746646
1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,4-c]pyridin-5-yl(1,2-oxazol-3-yl)methanone
CID 68602552
(4aS,8aR)-6-(1,2-oxazole-3-carbonyl)-4,4a,5,7,8,8a-hexahydropyrido[4,3-b][1,4]oxazin-3-one
CID 110135630
(3R)-1-(1,2-oxazol-3-yl)pyrrolidine-3-carboxylic acid
CID 28875677
(2S)-1-(1,2-oxazole-3-carbonyl)piperidine-2-carboxylic acid
CID 66263273
3-[1-(1,2-oxazole-3-carbonyl)piperidin-4-yl]propanoic acid
CID 62215797
[3-(2-hydroxyethyl)piperidin-1-yl]-(1,2-oxazol-3-yl)methanone
CID 62355750
1-[1-(1,2-oxazole-3-carbonyl)piperidin-4-yl]pyrrole-2-carboxylic acid
CID 62715383
(3S)-1-[2-(furan-3-yl)-1,3-thiazole-4-carbonyl]pyrrolidine-3-carboxylic acid
CID 124703697
(3S)-1-(furan-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 94917226
(3S)-1-benzoylpyrrolidine-3-carboxylic acid
CID 92614961

Frequently Asked Questions

What is the IUPAC name of 1-(1,2-oxazole-3-carbonyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(1,2-oxazole-3-carbonyl)pyrrolidine-3-carboxylic acid (CID 63032522) is 1-(1,2-oxazole-3-carbonyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(1,2-oxazole-3-carbonyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(1,2-oxazole-3-carbonyl)pyrrolidine-3-carboxylic acid is O=C(O)C1CCN(C(=O)c2ccon2)C1.
What is the InChIKey of 1-(1,2-oxazole-3-carbonyl)pyrrolidine-3-carboxylic acid?
The InChIKey is WSGBUPPRWFRLAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O4/c12-8(7-2-4-15-10-7)11-3-1-6(5-11)9(13)14/h2,4,6H,1,3,5H2,(H,13,14).
What are the key properties of 1-(1,2-oxazole-3-carbonyl)pyrrolidine-3-carboxylic acid?
1-(1,2-oxazole-3-carbonyl)pyrrolidine-3-carboxylic acid has a molecular weight of 210.19 g/mol, XLogP of 0.22, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-oxazole-3-carbonyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63032522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).