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

C18H17ClN2O3 — CID 166185984

IUPAC3-[3-[3-(4-chlorophenoxy)propoxy]phenyl]-5-methyl-1,2,4-oxadiazole
SMILESCc1nc(-c2cccc(OCCCOc3ccc(Cl)cc3)c2)no1
InChIInChI=1S/C18H17ClN2O3/c1-13-20-18(21-24-13)14-4-2-5-17(12-14)23-11-3-10-22-16-8-6-15(19)7-9-16/h2,4-9,12H,3,10-11H2,1H3
InChIKeyXURDYYHFLZLGNS-UHFFFAOYSA-N
MW344.80 g/mol
LogP4.55
Rot. Bonds7

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

3-[3-[3-(4-chlorophenoxy)propoxy]phenyl]-5-methyl-1,2,4-oxadiazole (PubChem CID 166185984) has the molecular formula C18H17ClN2O3 and a molecular weight of 344.80 g/mol. Its IUPAC name is 3-[3-[3-(4-chlorophenoxy)propoxy]phenyl]-5-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[3-[3-(4-chlorophenoxy)propoxy]phenyl]-5-methyl-1,2,4-oxadiazole
PubChem CID166185984
Molecular FormulaC18H17ClN2O3
Molecular Weight344.80 g/mol
Exact Mass344.09
IUPAC Name3-[3-[3-(4-chlorophenoxy)propoxy]phenyl]-5-methyl-1,2,4-oxadiazole
SMILESCc1nc(-c2cccc(OCCCOc3ccc(Cl)cc3)c2)no1
InChIInChI=1S/C18H17ClN2O3/c1-13-20-18(21-24-13)14-4-2-5-17(12-14)23-11-3-10-22-16-8-6-15(19)7-9-16/h2,4-9,12H,3,10-11H2,1H3
InChIKeyXURDYYHFLZLGNS-UHFFFAOYSA-N
XLogP4.55
TPSA57.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.80
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-[3-[3-(4-chlorophenoxy)propoxy]phenyl]-5-methyl-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-(4-butoxyphenyl)-5-methyl-1,2,4-oxadiazole
CID 168997991
5-chloro-3-(3-ethoxyphenyl)-1,2,4-oxadiazole
CID 60984808
3-(4-chlorophenyl)-5-methyl-1,2,4-oxadiazole
CID 684002
5-methyl-3-[3-(4-nitrophenoxy)phenyl]-1,2,4-oxadiazole
CID 15429346
3-[3-[5-[3,5-bis[3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]-1,2,4-oxadiazol-3-yl]phenyl]-5-methyl-1,2,4-oxadiazole
CID 67475214
2-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]-N-prop-2-enylacetamide
CID 50755671
3-(4-methylphenyl)-5-(3-propoxyphenyl)-1,2,4-oxadiazole
CID 46300212
5-methyl-3-[3-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]phenyl]-1,2,4-oxadiazole
CID 176625799
2-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]ethanamine
CID 170868647
5-(4-chlorophenyl)-3-[3-[(2,5-difluorophenyl)methoxy]phenyl]-1,2,4-oxadiazole
CID 46044035
N-(5-chloro-2-pyridinyl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide
CID 46321553
5-methyl-3-[3-(4-methyl-3-nitrophenoxy)phenyl]-1,2,4-oxadiazole
CID 70086748

Frequently Asked Questions

What is the IUPAC name of 3-[3-[3-(4-chlorophenoxy)propoxy]phenyl]-5-methyl-1,2,4-oxadiazole?
The IUPAC name of 3-[3-[3-(4-chlorophenoxy)propoxy]phenyl]-5-methyl-1,2,4-oxadiazole (CID 166185984) is 3-[3-[3-(4-chlorophenoxy)propoxy]phenyl]-5-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 3-[3-[3-(4-chlorophenoxy)propoxy]phenyl]-5-methyl-1,2,4-oxadiazole?
The canonical SMILES for 3-[3-[3-(4-chlorophenoxy)propoxy]phenyl]-5-methyl-1,2,4-oxadiazole is Cc1nc(-c2cccc(OCCCOc3ccc(Cl)cc3)c2)no1.
What is the InChIKey of 3-[3-[3-(4-chlorophenoxy)propoxy]phenyl]-5-methyl-1,2,4-oxadiazole?
The InChIKey is XURDYYHFLZLGNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O3/c1-13-20-18(21-24-13)14-4-2-5-17(12-14)23-11-3-10-22-16-8-6-15(19)7-9-16/h2,4-9,12H,3,10-11H2,1H3.
What are the key properties of 3-[3-[3-(4-chlorophenoxy)propoxy]phenyl]-5-methyl-1,2,4-oxadiazole?
3-[3-[3-(4-chlorophenoxy)propoxy]phenyl]-5-methyl-1,2,4-oxadiazole has a molecular weight of 344.80 g/mol, XLogP of 4.55, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[3-(4-chlorophenoxy)propoxy]phenyl]-5-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 166185984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).