4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]oxolane-3-carboxylic acid

C11H17N3O4 — CID 66236018

IUPAC4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]oxolane-3-carboxylic acid
SMILESCCc1nc(CN(C)C2COCC2C(=O)O)no1
InChIInChI=1S/C11H17N3O4/c1-3-10-12-9(13-18-10)4-14(2)8-6-17-5-7(8)11(15)16/h7-8H,3-6H2,1-2H3,(H,15,16)
InChIKeyGCJVYRRICHNAPP-UHFFFAOYSA-N
MW255.27 g/mol
LogP0.16
Rot. Bonds5

About 4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]oxolane-3-carboxylic acid

4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]oxolane-3-carboxylic acid (PubChem CID 66236018) has the molecular formula C11H17N3O4 and a molecular weight of 255.27 g/mol. Its IUPAC name is 4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]oxolane-3-carboxylic acid
PubChem CID66236018
Molecular FormulaC11H17N3O4
Molecular Weight255.27 g/mol
Exact Mass255.12
IUPAC Name4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]oxolane-3-carboxylic acid
SMILESCCc1nc(CN(C)C2COCC2C(=O)O)no1
InChIInChI=1S/C11H17N3O4/c1-3-10-12-9(13-18-10)4-14(2)8-6-17-5-7(8)11(15)16/h7-8H,3-6H2,1-2H3,(H,15,16)
InChIKeyGCJVYRRICHNAPP-UHFFFAOYSA-N
XLogP0.16
TPSA88.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]oxolane-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

4-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]oxolane-3-carboxylic acid
CID 66236625
4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]oxolane-3-carboxylic acid
CID 66236406
4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl-methylamino]oxolane-3-carboxylic acid
CID 66235796
4-[(5-ethylthiophen-2-yl)methyl-methylamino]oxolane-3-carboxylic acid
CID 66237650
4-[ethyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]amino]oxolane-3-carboxylic acid
CID 106402658
4-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl-ethylamino]oxolane-3-carboxylic acid
CID 66247880
4-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-4-N-methylcyclohexane-1,4-diamine
CID 79121020
4-[(5-bromothiophen-2-yl)methyl-methylamino]oxolane-3-carboxylic acid
CID 66238008
4-[(4-cyclopropylphenyl)methyl-methylamino]oxolane-3-carboxylic acid
CID 79977911
4-[(2-bromophenyl)methyl-methylamino]oxolane-3-carboxylic acid
CID 66237808
4-[[2-(dimethylamino)-2-oxoethyl]-methylamino]oxolane-3-carboxylic acid
CID 66267848
4-[(2,4-difluorophenyl)methyl-methylamino]oxolane-3-carboxylic acid
CID 66235385

Frequently Asked Questions

What is the IUPAC name of 4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]oxolane-3-carboxylic acid (CID 66236018) is 4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]oxolane-3-carboxylic acid is CCc1nc(CN(C)C2COCC2C(=O)O)no1.
What is the InChIKey of 4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]oxolane-3-carboxylic acid?
The InChIKey is GCJVYRRICHNAPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4/c1-3-10-12-9(13-18-10)4-14(2)8-6-17-5-7(8)11(15)16/h7-8H,3-6H2,1-2H3,(H,15,16).
What are the key properties of 4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]oxolane-3-carboxylic acid?
4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]oxolane-3-carboxylic acid has a molecular weight of 255.27 g/mol, XLogP of 0.16, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66236018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).