1-(3,4-dimethyl-1,2-oxazol-5-yl)-5-oxopyrrolidine-3-carboxylic acid

C10H12N2O4 — CID 82678276

IUPAC1-(3,4-dimethyl-1,2-oxazol-5-yl)-5-oxopyrrolidine-3-carboxylic acid
SMILESCc1noc(N2CC(C(=O)O)CC2=O)c1C
InChIInChI=1S/C10H12N2O4/c1-5-6(2)11-16-9(5)12-4-7(10(14)15)3-8(12)13/h7H,3-4H2,1-2H3,(H,14,15)
InChIKeyGIZCMQDANYPTMW-UHFFFAOYSA-N
MW224.22 g/mol
LogP0.73
Rot. Bonds2

About 1-(3,4-dimethyl-1,2-oxazol-5-yl)-5-oxopyrrolidine-3-carboxylic acid

1-(3,4-dimethyl-1,2-oxazol-5-yl)-5-oxopyrrolidine-3-carboxylic acid (PubChem CID 82678276) has the molecular formula C10H12N2O4 and a molecular weight of 224.22 g/mol. Its IUPAC name is 1-(3,4-dimethyl-1,2-oxazol-5-yl)-5-oxopyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(3,4-dimethyl-1,2-oxazol-5-yl)-5-oxopyrrolidine-3-carboxylic acid
PubChem CID82678276
Molecular FormulaC10H12N2O4
Molecular Weight224.22 g/mol
Exact Mass224.08
IUPAC Name1-(3,4-dimethyl-1,2-oxazol-5-yl)-5-oxopyrrolidine-3-carboxylic acid
SMILESCc1noc(N2CC(C(=O)O)CC2=O)c1C
InChIInChI=1S/C10H12N2O4/c1-5-6(2)11-16-9(5)12-4-7(10(14)15)3-8(12)13/h7H,3-4H2,1-2H3,(H,14,15)
InChIKeyGIZCMQDANYPTMW-UHFFFAOYSA-N
XLogP0.73
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3,4-Dimethyl-1,2-oxazol-5-yl)-(2,2,2-trichloroethyl)carbamic acid
CID 68644114
3-(3,4-Dimethylisoxazol-5-yl)-1,3-oxazolidin-2-one
CID 11837340
1-[(3,5-Dimethylisoxazol-4-yl)methyl]-5-oxopyrrolidine-3-carboxylic acid
CID 25219382
(3R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-oxopyrrolidine-3-carboxylic acid
CID 51673763
(3S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-oxopyrrolidine-3-carboxylic acid
CID 51673765
N-(3,4-dimethyl-1,2-oxazol-5-yl)pyrrolidine-3-carboxamide
CID 65487202
4-[(3,4-Dimethyl-1,2-oxazol-5-yl)amino]-2,2-dimethyl-4-oxobutanoic acid
CID 65487758
3-Amino-4-[(3,4-dimethyl-1,2-oxazol-5-yl)amino]-4-oxobutanoic acid
CID 65487783
4-[(3,4-Dimethyl-1,2-oxazol-5-yl)amino]-4-oxobutanoic acid
CID 65488518
4-[(3,4-Dimethyl-1,2-oxazol-5-yl)amino]-2,3-dimethyl-4-oxobut-2-enoic acid
CID 77070404
1-[1-(3,5-Dimethyl-1,2-oxazol-4-yl)ethyl]-5-oxopyrrolidine-3-carboxylic acid
CID 79225733
N-(3,4-dimethyl-1,2-oxazol-5-yl)-5-oxopyrrolidine-3-carboxamide
CID 79596352

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethyl-1,2-oxazol-5-yl)-5-oxopyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(3,4-dimethyl-1,2-oxazol-5-yl)-5-oxopyrrolidine-3-carboxylic acid (CID 82678276) is 1-(3,4-dimethyl-1,2-oxazol-5-yl)-5-oxopyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(3,4-dimethyl-1,2-oxazol-5-yl)-5-oxopyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(3,4-dimethyl-1,2-oxazol-5-yl)-5-oxopyrrolidine-3-carboxylic acid is Cc1noc(N2CC(C(=O)O)CC2=O)c1C.
What is the InChIKey of 1-(3,4-dimethyl-1,2-oxazol-5-yl)-5-oxopyrrolidine-3-carboxylic acid?
The InChIKey is GIZCMQDANYPTMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O4/c1-5-6(2)11-16-9(5)12-4-7(10(14)15)3-8(12)13/h7H,3-4H2,1-2H3,(H,14,15).
What are the key properties of 1-(3,4-dimethyl-1,2-oxazol-5-yl)-5-oxopyrrolidine-3-carboxylic acid?
1-(3,4-dimethyl-1,2-oxazol-5-yl)-5-oxopyrrolidine-3-carboxylic acid has a molecular weight of 224.22 g/mol, XLogP of 0.73, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethyl-1,2-oxazol-5-yl)-5-oxopyrrolidine-3-carboxylic acid is sourced from PubChem (CID 82678276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).