1-[[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidine-3,4-diol

C13H14ClN3O3 — CID 106672141

IUPAC1-[[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidine-3,4-diol
SMILESOC1CN(Cc2noc(-c3ccccc3Cl)n2)CC1O
InChIInChI=1S/C13H14ClN3O3/c14-9-4-2-1-3-8(9)13-15-12(16-20-13)7-17-5-10(18)11(19)6-17/h1-4,10-11,18-19H,5-7H2
InChIKeyKEEXAQWXDPFQJT-UHFFFAOYSA-N
MW295.73 g/mol
LogP0.93
Rot. Bonds3

About 1-[[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidine-3,4-diol

1-[[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidine-3,4-diol (PubChem CID 106672141) has the molecular formula C13H14ClN3O3 and a molecular weight of 295.73 g/mol. Its IUPAC name is 1-[[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidine-3,4-diol.

Molecular Properties

Compound Name1-[[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidine-3,4-diol
PubChem CID106672141
Molecular FormulaC13H14ClN3O3
Molecular Weight295.73 g/mol
Exact Mass295.07
IUPAC Name1-[[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidine-3,4-diol
SMILESOC1CN(Cc2noc(-c3ccccc3Cl)n2)CC1O
InChIInChI=1S/C13H14ClN3O3/c14-9-4-2-1-3-8(9)13-15-12(16-20-13)7-17-5-10(18)11(19)6-17/h1-4,10-11,18-19H,5-7H2
InChIKeyKEEXAQWXDPFQJT-UHFFFAOYSA-N
XLogP0.93
TPSA82.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.73
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidine-3,4-diol 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

5-(2-chlorophenyl)-3-[[(3R)-3-methylpiperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 104975780
1-[4-[[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]butan-1-one
CID 42879655
5-(2-chlorophenyl)-3-propyl-1,2,4-oxadiazole
CID 869984
[1-[[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-2-yl]methanamine
CID 115312732
(3S,4R)-1-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidine-3,4-diol
CID 79420529
1-[[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-2-methylpiperidin-4-amine
CID 115312991
2-[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine
CID 12551367
1-[[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyridin-2-one
CID 71794585
ethyl 2-[[4-[[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]piperazine-1-carbonyl]amino]acetate
CID 42692153
3-[[4-(2-chloroethyl)triazol-1-yl]methyl]-5-(2-chlorophenyl)-1,2,4-oxadiazole
CID 62401031
(3R)-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-ol
CID 78963265
3-[[4-(2-bromoethyl)triazol-1-yl]methyl]-5-(2-chlorophenyl)-1,2,4-oxadiazole
CID 62394421

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidine-3,4-diol?
The IUPAC name of 1-[[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidine-3,4-diol (CID 106672141) is 1-[[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidine-3,4-diol.
What is the SMILES notation for 1-[[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidine-3,4-diol?
The canonical SMILES for 1-[[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidine-3,4-diol is OC1CN(Cc2noc(-c3ccccc3Cl)n2)CC1O.
What is the InChIKey of 1-[[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidine-3,4-diol?
The InChIKey is KEEXAQWXDPFQJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O3/c14-9-4-2-1-3-8(9)13-15-12(16-20-13)7-17-5-10(18)11(19)6-17/h1-4,10-11,18-19H,5-7H2.
What are the key properties of 1-[[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidine-3,4-diol?
1-[[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidine-3,4-diol has a molecular weight of 295.73 g/mol, XLogP of 0.93, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidine-3,4-diol is sourced from PubChem (CID 106672141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).