2-(2-pyrrolidin-2-yl-1,3-oxazol-5-yl)acetic acid

C9H12N2O3 — CID 115085791

IUPAC2-(2-pyrrolidin-2-yl-1,3-oxazol-5-yl)acetic acid
SMILESO=C(O)Cc1cnc(C2CCCN2)o1
InChIInChI=1S/C9H12N2O3/c12-8(13)4-6-5-11-9(14-6)7-2-1-3-10-7/h5,7,10H,1-4H2,(H,12,13)
InChIKeyMVJIKFRYPZOBKI-UHFFFAOYSA-N
MW196.21 g/mol
LogP0.73
Rot. Bonds3

About 2-(2-pyrrolidin-2-yl-1,3-oxazol-5-yl)acetic acid

2-(2-pyrrolidin-2-yl-1,3-oxazol-5-yl)acetic acid (PubChem CID 115085791) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is 2-(2-pyrrolidin-2-yl-1,3-oxazol-5-yl)acetic acid.

Molecular Properties

Compound Name2-(2-pyrrolidin-2-yl-1,3-oxazol-5-yl)acetic acid
PubChem CID115085791
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Name2-(2-pyrrolidin-2-yl-1,3-oxazol-5-yl)acetic acid
SMILESO=C(O)Cc1cnc(C2CCCN2)o1
InChIInChI=1S/C9H12N2O3/c12-8(13)4-6-5-11-9(14-6)7-2-1-3-10-7/h5,7,10H,1-4H2,(H,12,13)
InChIKeyMVJIKFRYPZOBKI-UHFFFAOYSA-N
XLogP0.73
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(2-pyrrolidin-2-yl-1,3-oxazol-5-yl)acetic 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

2-piperidin-2-yl-1,3-oxazole-5-carboxylic acid
CID 83879757
1-(2-pyrrolidin-2-yl-1,3-oxazol-5-yl)ethanone
CID 115085669
2-[2-[(1S,2R)-2-methylcyclopropyl]-1,3-oxazol-5-yl]acetic acid
CID 125451996
1-(2-pyrrolidin-2-yl-1,3-oxazol-5-yl)ethanol
CID 115085656
2-[2-(1-ethylpiperidin-3-yl)-1,3-oxazol-5-yl]acetic acid
CID 115085641
2-(2-piperidin-2-yl-1,3-oxazol-5-yl)propan-1-ol
CID 115085864
2-(5-methyl-4-pyrrolidin-2-yl-1,3-oxazol-2-yl)acetic acid
CID 115026802
5-[(3-methoxyphenyl)methyl]-2-piperidin-2-yl-1,3-oxazole;dihydrochloride
CID 75485547
3-(2-pyrrolidin-2-yl-1,3-oxazol-5-yl)thiolane 1,1-dioxide
CID 115047827
5-(4-fluorophenyl)-2-pyrrolidin-2-yl-1,3-oxazole
CID 52983812
5-(oxan-2-yl)-2-pyrrolidin-2-yl-1,3-oxazole
CID 115033418
2-[2-(thian-3-ylmethyl)-1,3-oxazol-5-yl]acetic acid
CID 115086422

Frequently Asked Questions

What is the IUPAC name of 2-(2-pyrrolidin-2-yl-1,3-oxazol-5-yl)acetic acid?
The IUPAC name of 2-(2-pyrrolidin-2-yl-1,3-oxazol-5-yl)acetic acid (CID 115085791) is 2-(2-pyrrolidin-2-yl-1,3-oxazol-5-yl)acetic acid.
What is the SMILES notation for 2-(2-pyrrolidin-2-yl-1,3-oxazol-5-yl)acetic acid?
The canonical SMILES for 2-(2-pyrrolidin-2-yl-1,3-oxazol-5-yl)acetic acid is O=C(O)Cc1cnc(C2CCCN2)o1.
What is the InChIKey of 2-(2-pyrrolidin-2-yl-1,3-oxazol-5-yl)acetic acid?
The InChIKey is MVJIKFRYPZOBKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c12-8(13)4-6-5-11-9(14-6)7-2-1-3-10-7/h5,7,10H,1-4H2,(H,12,13).
What are the key properties of 2-(2-pyrrolidin-2-yl-1,3-oxazol-5-yl)acetic acid?
2-(2-pyrrolidin-2-yl-1,3-oxazol-5-yl)acetic acid has a molecular weight of 196.21 g/mol, XLogP of 0.73, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-pyrrolidin-2-yl-1,3-oxazol-5-yl)acetic acid is sourced from PubChem (CID 115085791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).