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

C17H15ClN2O4 — CID 42692356

IUPAC3-[(3-chlorophenoxy)methyl]-5-(3,5-dimethoxyphenyl)-1,2,4-oxadiazole
SMILESCOc1cc(OC)cc(-c2nc(COc3cccc(Cl)c3)no2)c1
InChIInChI=1S/C17H15ClN2O4/c1-21-14-6-11(7-15(9-14)22-2)17-19-16(20-24-17)10-23-13-5-3-4-12(18)8-13/h3-9H,10H2,1-2H3
InChIKeyXKEHTFXLCMEXAL-UHFFFAOYSA-N
MW346.77 g/mol
LogP3.99
Rot. Bonds6

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

3-[(3-chlorophenoxy)methyl]-5-(3,5-dimethoxyphenyl)-1,2,4-oxadiazole (PubChem CID 42692356) has the molecular formula C17H15ClN2O4 and a molecular weight of 346.77 g/mol. Its IUPAC name is 3-[(3-chlorophenoxy)methyl]-5-(3,5-dimethoxyphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[(3-chlorophenoxy)methyl]-5-(3,5-dimethoxyphenyl)-1,2,4-oxadiazole
PubChem CID42692356
Molecular FormulaC17H15ClN2O4
Molecular Weight346.77 g/mol
Exact Mass346.07
IUPAC Name3-[(3-chlorophenoxy)methyl]-5-(3,5-dimethoxyphenyl)-1,2,4-oxadiazole
SMILESCOc1cc(OC)cc(-c2nc(COc3cccc(Cl)c3)no2)c1
InChIInChI=1S/C17H15ClN2O4/c1-21-14-6-11(7-15(9-14)22-2)17-19-16(20-24-17)10-23-13-5-3-4-12(18)8-13/h3-9H,10H2,1-2H3
InChIKeyXKEHTFXLCMEXAL-UHFFFAOYSA-N
XLogP3.99
TPSA66.61 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.77
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(3-methoxyphenoxy)methyl]-5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 42880243
3-[(4-methoxyphenoxy)methyl]-5-phenyl-1,2,4-oxadiazole
CID 42692255
5-(3-fluorophenyl)-3-[(4-methoxyphenoxy)methyl]-1,2,4-oxadiazole
CID 42692369
3-[(3-methylphenoxy)methyl]-5-phenyl-1,2,4-oxadiazole
CID 23205015
N-[[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-3,5-dimethoxybenzamide
CID 53049034
3-[(3,5-dimethylphenoxy)methyl]-5-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 78878775
3-[[5-(2,4-dichlorophenyl)-1,2,4-oxadiazol-3-yl]methoxy]-N,N-dimethylaniline
CID 42692318
5-(3-chlorophenyl)-3-[(2-phenylphenoxy)methyl]-1,2,4-oxadiazole
CID 42692446
3-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]phenol
CID 63844357
3-[[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methoxy]-N-hydroxy-4-methoxybenzamide
CID 155535519
(2S)-2-(3-chlorophenoxy)-N-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]propanamide
CID 95062327
2-N-(3-chlorophenyl)-6-[[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]-1,3,5-triazine-2,4-diamine
CID 123487544

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chlorophenoxy)methyl]-5-(3,5-dimethoxyphenyl)-1,2,4-oxadiazole?
The IUPAC name of 3-[(3-chlorophenoxy)methyl]-5-(3,5-dimethoxyphenyl)-1,2,4-oxadiazole (CID 42692356) is 3-[(3-chlorophenoxy)methyl]-5-(3,5-dimethoxyphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-[(3-chlorophenoxy)methyl]-5-(3,5-dimethoxyphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-[(3-chlorophenoxy)methyl]-5-(3,5-dimethoxyphenyl)-1,2,4-oxadiazole is COc1cc(OC)cc(-c2nc(COc3cccc(Cl)c3)no2)c1.
What is the InChIKey of 3-[(3-chlorophenoxy)methyl]-5-(3,5-dimethoxyphenyl)-1,2,4-oxadiazole?
The InChIKey is XKEHTFXLCMEXAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O4/c1-21-14-6-11(7-15(9-14)22-2)17-19-16(20-24-17)10-23-13-5-3-4-12(18)8-13/h3-9H,10H2,1-2H3.
What are the key properties of 3-[(3-chlorophenoxy)methyl]-5-(3,5-dimethoxyphenyl)-1,2,4-oxadiazole?
3-[(3-chlorophenoxy)methyl]-5-(3,5-dimethoxyphenyl)-1,2,4-oxadiazole has a molecular weight of 346.77 g/mol, XLogP of 3.99, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chlorophenoxy)methyl]-5-(3,5-dimethoxyphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 42692356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).