2-(4-chlorophenyl)-5-[(2,6-dimethoxy-4-methylphenoxy)methyl]-1,3,4-oxadiazole

C18H17ClN2O4 — CID 7695649

IUPAC2-(4-chlorophenyl)-5-[(2,6-dimethoxy-4-methylphenoxy)methyl]-1,3,4-oxadiazole
SMILESCOc1cc(C)cc(OC)c1OCc1nnc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C18H17ClN2O4/c1-11-8-14(22-2)17(15(9-11)23-3)24-10-16-20-21-18(25-16)12-4-6-13(19)7-5-12/h4-9H,10H2,1-3H3
InChIKeyXGBJOBKOSLHXJP-UHFFFAOYSA-N
MW360.80 g/mol
LogP4.29
Rot. Bonds6

About 2-(4-chlorophenyl)-5-[(2,6-dimethoxy-4-methylphenoxy)methyl]-1,3,4-oxadiazole

2-(4-chlorophenyl)-5-[(2,6-dimethoxy-4-methylphenoxy)methyl]-1,3,4-oxadiazole (PubChem CID 7695649) has the molecular formula C18H17ClN2O4 and a molecular weight of 360.80 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-5-[(2,6-dimethoxy-4-methylphenoxy)methyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(4-chlorophenyl)-5-[(2,6-dimethoxy-4-methylphenoxy)methyl]-1,3,4-oxadiazole
PubChem CID7695649
Molecular FormulaC18H17ClN2O4
Molecular Weight360.80 g/mol
Exact Mass360.09
IUPAC Name2-(4-chlorophenyl)-5-[(2,6-dimethoxy-4-methylphenoxy)methyl]-1,3,4-oxadiazole
SMILESCOc1cc(C)cc(OC)c1OCc1nnc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C18H17ClN2O4/c1-11-8-14(22-2)17(15(9-11)23-3)24-10-16-20-21-18(25-16)12-4-6-13(19)7-5-12/h4-9H,10H2,1-3H3
InChIKeyXGBJOBKOSLHXJP-UHFFFAOYSA-N
XLogP4.29
TPSA66.61 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.80
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(2,6-dimethoxy-4-methylphenoxy)methyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 24607341
2-[(2,5-dichlorophenoxy)methyl]-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole
CID 7431819
[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 3,4-dimethoxybenzoate
CID 8010721
2-(4-chlorophenyl)-5-[(2,4-difluorophenoxy)methyl]-1,3,4-oxadiazole
CID 110655751
[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 3,4-dimethoxy-5-prop-2-enylbenzoate
CID 38543203
N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(3,4-dimethoxyphenyl)-N-methylmethanamine
CID 31374350
2-[(2-methoxy-4-methylphenoxy)methyl]-5-(3-methylphenyl)-1,3,4-oxadiazole
CID 110655620
2-[(5,7-dichloro-2-methylquinolin-8-yl)oxymethyl]-5-(4-methylphenyl)-1,3,4-oxadiazole
CID 38827604
3-methoxy-4-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methoxy]benzaldehyde
CID 38833285
2-[(4-chlorophenoxy)methyl]-5-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-1,3,4-oxadiazole
CID 38834490
2-[4-(2,4-dichlorophenoxy)phenyl]-5-[(2-methylphenoxy)methyl]-1,3,4-oxadiazole
CID 155805409
methyl 3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]benzoate
CID 7671554

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-5-[(2,6-dimethoxy-4-methylphenoxy)methyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(4-chlorophenyl)-5-[(2,6-dimethoxy-4-methylphenoxy)methyl]-1,3,4-oxadiazole (CID 7695649) is 2-(4-chlorophenyl)-5-[(2,6-dimethoxy-4-methylphenoxy)methyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(4-chlorophenyl)-5-[(2,6-dimethoxy-4-methylphenoxy)methyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(4-chlorophenyl)-5-[(2,6-dimethoxy-4-methylphenoxy)methyl]-1,3,4-oxadiazole is COc1cc(C)cc(OC)c1OCc1nnc(-c2ccc(Cl)cc2)o1.
What is the InChIKey of 2-(4-chlorophenyl)-5-[(2,6-dimethoxy-4-methylphenoxy)methyl]-1,3,4-oxadiazole?
The InChIKey is XGBJOBKOSLHXJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O4/c1-11-8-14(22-2)17(15(9-11)23-3)24-10-16-20-21-18(25-16)12-4-6-13(19)7-5-12/h4-9H,10H2,1-3H3.
What are the key properties of 2-(4-chlorophenyl)-5-[(2,6-dimethoxy-4-methylphenoxy)methyl]-1,3,4-oxadiazole?
2-(4-chlorophenyl)-5-[(2,6-dimethoxy-4-methylphenoxy)methyl]-1,3,4-oxadiazole has a molecular weight of 360.80 g/mol, XLogP of 4.29, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-5-[(2,6-dimethoxy-4-methylphenoxy)methyl]-1,3,4-oxadiazole is sourced from PubChem (CID 7695649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).