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

C12H11ClN2O2 — CID 5133168

IUPAC2-[(2-chlorophenoxy)methyl]-5-cyclopropyl-1,3,4-oxadiazole
SMILESClc1ccccc1OCc1nnc(C2CC2)o1
InChIInChI=1S/C12H11ClN2O2/c13-9-3-1-2-4-10(9)16-7-11-14-15-12(17-11)8-5-6-8/h1-4,8H,5-7H2
InChIKeySEKTYJFVRKIMAU-UHFFFAOYSA-N
MW250.69 g/mol
LogP3.18
Rot. Bonds4

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

2-[(2-chlorophenoxy)methyl]-5-cyclopropyl-1,3,4-oxadiazole (PubChem CID 5133168) has the molecular formula C12H11ClN2O2 and a molecular weight of 250.69 g/mol. Its IUPAC name is 2-[(2-chlorophenoxy)methyl]-5-cyclopropyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(2-chlorophenoxy)methyl]-5-cyclopropyl-1,3,4-oxadiazole
PubChem CID5133168
Molecular FormulaC12H11ClN2O2
Molecular Weight250.69 g/mol
Exact Mass250.05
IUPAC Name2-[(2-chlorophenoxy)methyl]-5-cyclopropyl-1,3,4-oxadiazole
SMILESClc1ccccc1OCc1nnc(C2CC2)o1
InChIInChI=1S/C12H11ClN2O2/c13-9-3-1-2-4-10(9)16-7-11-14-15-12(17-11)8-5-6-8/h1-4,8H,5-7H2
InChIKeySEKTYJFVRKIMAU-UHFFFAOYSA-N
XLogP3.18
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.69
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[(2-chlorophenoxy)methyl]-5-cyclopropyl-1,3,4-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

[5-[(2-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]hydrazine
CID 35754836
2-(5-bromofuran-2-yl)-5-[(2-chlorophenoxy)methyl]-1,3,4-oxadiazole
CID 26218065
4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methoxy]-3-ethoxybenzonitrile
CID 47502411
5-[(2-chlorophenoxy)methyl]-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole
CID 97443640
2-benzyl-5-[(2,3-dichlorophenoxy)methyl]-1,3,4-oxadiazole
CID 110655983
2-[(2,3-dichlorophenoxy)methyl]-5-phenyl-1,3,4-oxadiazole
CID 17404310
2-[[5-[(2-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-1-phenylethanone
CID 2482597
2-(oxan-2-yl)-5-[(2-phenylphenoxy)methyl]-1,3,4-oxadiazole
CID 126817969
2-[(2-bromophenoxy)methyl]-5-(chloromethyl)-1,3,4-oxadiazole
CID 39430952
N-[[2-chloro-6-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methyl]cyclopropanamine
CID 114319229
2-[[5-[(2-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(1S,2R)-2-methylcyclohexyl]acetamide
CID 2482406
2-[[5-[(2-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(1R,2S)-2-methylcyclohexyl]acetamide
CID 2482398

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenoxy)methyl]-5-cyclopropyl-1,3,4-oxadiazole?
The IUPAC name of 2-[(2-chlorophenoxy)methyl]-5-cyclopropyl-1,3,4-oxadiazole (CID 5133168) is 2-[(2-chlorophenoxy)methyl]-5-cyclopropyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(2-chlorophenoxy)methyl]-5-cyclopropyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[(2-chlorophenoxy)methyl]-5-cyclopropyl-1,3,4-oxadiazole is Clc1ccccc1OCc1nnc(C2CC2)o1.
What is the InChIKey of 2-[(2-chlorophenoxy)methyl]-5-cyclopropyl-1,3,4-oxadiazole?
The InChIKey is SEKTYJFVRKIMAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O2/c13-9-3-1-2-4-10(9)16-7-11-14-15-12(17-11)8-5-6-8/h1-4,8H,5-7H2.
What are the key properties of 2-[(2-chlorophenoxy)methyl]-5-cyclopropyl-1,3,4-oxadiazole?
2-[(2-chlorophenoxy)methyl]-5-cyclopropyl-1,3,4-oxadiazole has a molecular weight of 250.69 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenoxy)methyl]-5-cyclopropyl-1,3,4-oxadiazole is sourced from PubChem (CID 5133168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).