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

C12H10Cl2N2O — CID 154748359

IUPAC3-cyclopropyl-5-[(2,4-dichlorophenyl)methyl]-1,2,4-oxadiazole
SMILESClc1ccc(Cc2nc(C3CC3)no2)c(Cl)c1
InChIInChI=1S/C12H10Cl2N2O/c13-9-4-3-8(10(14)6-9)5-11-15-12(16-17-11)7-1-2-7/h3-4,6-7H,1-2,5H2
InChIKeyMHALBYWHYMLBHR-UHFFFAOYSA-N
MW269.13 g/mol
LogP3.84
Rot. Bonds3

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

3-cyclopropyl-5-[(2,4-dichlorophenyl)methyl]-1,2,4-oxadiazole (PubChem CID 154748359) has the molecular formula C12H10Cl2N2O and a molecular weight of 269.13 g/mol. Its IUPAC name is 3-cyclopropyl-5-[(2,4-dichlorophenyl)methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-cyclopropyl-5-[(2,4-dichlorophenyl)methyl]-1,2,4-oxadiazole
PubChem CID154748359
Molecular FormulaC12H10Cl2N2O
Molecular Weight269.13 g/mol
Exact Mass268.02
IUPAC Name3-cyclopropyl-5-[(2,4-dichlorophenyl)methyl]-1,2,4-oxadiazole
SMILESClc1ccc(Cc2nc(C3CC3)no2)c(Cl)c1
InChIInChI=1S/C12H10Cl2N2O/c13-9-4-3-8(10(14)6-9)5-11-15-12(16-17-11)7-1-2-7/h3-4,6-7H,1-2,5H2
InChIKeyMHALBYWHYMLBHR-UHFFFAOYSA-N
XLogP3.84
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.13
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dichloro-N-[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzamide
CID 72717371
1-(4-chlorophenyl)-3-[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]urea
CID 90562228
2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]aniline
CID 62536508
1-[5-[(2,4-dichlorophenyl)methyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120856616
1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-[1-(2,4-dichlorophenyl)ethyl]urea
CID 60543591
5-[(4-chloro-3-fluorophenoxy)methyl]-3-cyclopropyl-1,2,4-oxadiazole
CID 82705989
3,4-dichloro-N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]aniline
CID 47063641
4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]phenol
CID 63851274
5-[(2,5-difluorophenyl)methyl]-3-(oxolan-3-yl)-1,2,4-oxadiazole
CID 71971359
2-[[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]aniline
CID 62535937
[2-[(3-cyclobutyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]methanamine
CID 81317921
(1S)-1-[5-chloro-2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanol
CID 78931347

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-[(2,4-dichlorophenyl)methyl]-1,2,4-oxadiazole?
The IUPAC name of 3-cyclopropyl-5-[(2,4-dichlorophenyl)methyl]-1,2,4-oxadiazole (CID 154748359) is 3-cyclopropyl-5-[(2,4-dichlorophenyl)methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-cyclopropyl-5-[(2,4-dichlorophenyl)methyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-cyclopropyl-5-[(2,4-dichlorophenyl)methyl]-1,2,4-oxadiazole is Clc1ccc(Cc2nc(C3CC3)no2)c(Cl)c1.
What is the InChIKey of 3-cyclopropyl-5-[(2,4-dichlorophenyl)methyl]-1,2,4-oxadiazole?
The InChIKey is MHALBYWHYMLBHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N2O/c13-9-4-3-8(10(14)6-9)5-11-15-12(16-17-11)7-1-2-7/h3-4,6-7H,1-2,5H2.
What are the key properties of 3-cyclopropyl-5-[(2,4-dichlorophenyl)methyl]-1,2,4-oxadiazole?
3-cyclopropyl-5-[(2,4-dichlorophenyl)methyl]-1,2,4-oxadiazole has a molecular weight of 269.13 g/mol, XLogP of 3.84, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-[(2,4-dichlorophenyl)methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 154748359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).