3-[(2,4-dichlorophenyl)methyl]-5-pyrrolidin-3-yl-1,2,4-oxadiazole

C13H13Cl2N3O — CID 63032178

IUPAC3-[(2,4-dichlorophenyl)methyl]-5-pyrrolidin-3-yl-1,2,4-oxadiazole
SMILESClc1ccc(Cc2noc(C3CCNC3)n2)c(Cl)c1
InChIInChI=1S/C13H13Cl2N3O/c14-10-2-1-8(11(15)6-10)5-12-17-13(19-18-12)9-3-4-16-7-9/h1-2,6,9,16H,3-5,7H2
InChIKeyIEVCQMUNLGFSKU-UHFFFAOYSA-N
MW298.17 g/mol
LogP3.04
Rot. Bonds3

About 3-[(2,4-dichlorophenyl)methyl]-5-pyrrolidin-3-yl-1,2,4-oxadiazole

3-[(2,4-dichlorophenyl)methyl]-5-pyrrolidin-3-yl-1,2,4-oxadiazole (PubChem CID 63032178) has the molecular formula C13H13Cl2N3O and a molecular weight of 298.17 g/mol. Its IUPAC name is 3-[(2,4-dichlorophenyl)methyl]-5-pyrrolidin-3-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[(2,4-dichlorophenyl)methyl]-5-pyrrolidin-3-yl-1,2,4-oxadiazole
PubChem CID63032178
Molecular FormulaC13H13Cl2N3O
Molecular Weight298.17 g/mol
Exact Mass297.04
IUPAC Name3-[(2,4-dichlorophenyl)methyl]-5-pyrrolidin-3-yl-1,2,4-oxadiazole
SMILESClc1ccc(Cc2noc(C3CCNC3)n2)c(Cl)c1
InChIInChI=1S/C13H13Cl2N3O/c14-10-2-1-8(11(15)6-10)5-12-17-13(19-18-12)9-3-4-16-7-9/h1-2,6,9,16H,3-5,7H2
InChIKeyIEVCQMUNLGFSKU-UHFFFAOYSA-N
XLogP3.04
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.17
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[(2,4-dichlorophenyl)methyl]-5-pyrrolidin-3-yl-1,2,4-oxadiazole 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

3-[(3-fluorophenyl)methyl]-5-[(3R)-pyrrolidin-3-yl]-1,2,4-oxadiazole
CID 120893894
3-[(2-fluorophenyl)methyl]-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole
CID 104911758
4-[3-[(2,4-dichlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]thiolan-3-amine
CID 83201230
5-pyrrolidin-3-yl-3-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazole
CID 115080894
3-[(4-methoxyphenyl)methyl]-5-[(3R)-pyrrolidin-3-yl]-1,2,4-oxadiazole;hydrochloride
CID 120838644
5-(azetidin-3-yl)-3-[(3,4-dichlorophenyl)methyl]-1,2,4-oxadiazole
CID 79316805
3-[(2-chlorophenyl)methyl]-5-(5-pyrrolidin-3-yl-1H-pyrazol-3-yl)-1,2,4-oxadiazole;hydrochloride
CID 120834346
3-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-pyrrolidin-3-yl-1,2,4-oxadiazole
CID 63030798
3-(2-methylpropyl)-5-[(3S)-pyrrolidin-3-yl]-1,2,4-oxadiazole;hydrochloride
CID 130747832
3-[(3,5-dimethylphenyl)methyl]-5-piperidin-3-yl-1,2,4-oxadiazole
CID 62594260
3-cyclopropyl-5-[(2,4-dichlorophenyl)methyl]-1,2,4-oxadiazole
CID 154748359
5-chloro-2-pyrrolidin-3-yl-1,3-benzoxazole
CID 63032538

Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-dichlorophenyl)methyl]-5-pyrrolidin-3-yl-1,2,4-oxadiazole?
The IUPAC name of 3-[(2,4-dichlorophenyl)methyl]-5-pyrrolidin-3-yl-1,2,4-oxadiazole (CID 63032178) is 3-[(2,4-dichlorophenyl)methyl]-5-pyrrolidin-3-yl-1,2,4-oxadiazole.
What is the SMILES notation for 3-[(2,4-dichlorophenyl)methyl]-5-pyrrolidin-3-yl-1,2,4-oxadiazole?
The canonical SMILES for 3-[(2,4-dichlorophenyl)methyl]-5-pyrrolidin-3-yl-1,2,4-oxadiazole is Clc1ccc(Cc2noc(C3CCNC3)n2)c(Cl)c1.
What is the InChIKey of 3-[(2,4-dichlorophenyl)methyl]-5-pyrrolidin-3-yl-1,2,4-oxadiazole?
The InChIKey is IEVCQMUNLGFSKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2N3O/c14-10-2-1-8(11(15)6-10)5-12-17-13(19-18-12)9-3-4-16-7-9/h1-2,6,9,16H,3-5,7H2.
What are the key properties of 3-[(2,4-dichlorophenyl)methyl]-5-pyrrolidin-3-yl-1,2,4-oxadiazole?
3-[(2,4-dichlorophenyl)methyl]-5-pyrrolidin-3-yl-1,2,4-oxadiazole has a molecular weight of 298.17 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4-dichlorophenyl)methyl]-5-pyrrolidin-3-yl-1,2,4-oxadiazole is sourced from PubChem (CID 63032178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).