1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3-ethylpyrrolidine-3-carboxylic acid

C12H18N2O5S — CID 63149662

IUPAC1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3-ethylpyrrolidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCN(S(=O)(=O)c2c(C)noc2C)C1
InChIInChI=1S/C12H18N2O5S/c1-4-12(11(15)16)5-6-14(7-12)20(17,18)10-8(2)13-19-9(10)3/h4-7H2,1-3H3,(H,15,16)
InChIKeyYXLMEYUORIBJLB-UHFFFAOYSA-N
MW302.35 g/mol
LogP1.17
Rot. Bonds4

About 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3-ethylpyrrolidine-3-carboxylic acid

1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3-ethylpyrrolidine-3-carboxylic acid (PubChem CID 63149662) has the molecular formula C12H18N2O5S and a molecular weight of 302.35 g/mol. Its IUPAC name is 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3-ethylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3-ethylpyrrolidine-3-carboxylic acid
PubChem CID63149662
Molecular FormulaC12H18N2O5S
Molecular Weight302.35 g/mol
Exact Mass302.09
IUPAC Name1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3-ethylpyrrolidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCN(S(=O)(=O)c2c(C)noc2C)C1
InChIInChI=1S/C12H18N2O5S/c1-4-12(11(15)16)5-6-14(7-12)20(17,18)10-8(2)13-19-9(10)3/h4-7H2,1-3H3,(H,15,16)
InChIKeyYXLMEYUORIBJLB-UHFFFAOYSA-N
XLogP1.17
TPSA100.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3-ethylpyrrolidine-3-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

1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]ethanone
CID 3345472
1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]butan-1-one
CID 17455988
3-ethyl-1-(1-methylimidazol-4-yl)sulfonylpyrrolidine-3-carboxylic acid
CID 55167113
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]azetidine-3-carboxylic acid
CID 62707263
[(3S)-3-benzyl-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]methanol
CID 25383119
ethyl 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-2-oxoacetate
CID 110328637
2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one
CID 72861309
3,5-dimethyl-4-(1,3-oxazolidin-3-ylsulfonyl)-1,2-oxazole
CID 110740099
[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]methanol
CID 39373161
3-ethyl-1-(4-fluoro-2-methylphenyl)sulfonylpyrrolidine-3-carboxylic acid
CID 63149357
1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]ethanone
CID 63846405
1-(3,4-difluorophenyl)sulfonyl-3-ethylpyrrolidine-3-carboxylic acid
CID 63149274

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3-ethylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3-ethylpyrrolidine-3-carboxylic acid (CID 63149662) is 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3-ethylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3-ethylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3-ethylpyrrolidine-3-carboxylic acid is CCC1(C(=O)O)CCN(S(=O)(=O)c2c(C)noc2C)C1.
What is the InChIKey of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3-ethylpyrrolidine-3-carboxylic acid?
The InChIKey is YXLMEYUORIBJLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O5S/c1-4-12(11(15)16)5-6-14(7-12)20(17,18)10-8(2)13-19-9(10)3/h4-7H2,1-3H3,(H,15,16).
What are the key properties of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3-ethylpyrrolidine-3-carboxylic acid?
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3-ethylpyrrolidine-3-carboxylic acid has a molecular weight of 302.35 g/mol, XLogP of 1.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3-ethylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63149662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).