5-[1-(3-methylphenoxy)ethyl]-3-(3-methylphenyl)-1,2,4-oxadiazole

C18H18N2O2 — CID 6472807

IUPAC5-[1-(3-methylphenoxy)ethyl]-3-(3-methylphenyl)-1,2,4-oxadiazole
SMILESCc1cccc(OC(C)c2nc(-c3cccc(C)c3)no2)c1
InChIInChI=1S/C18H18N2O2/c1-12-6-4-8-15(10-12)17-19-18(22-20-17)14(3)21-16-9-5-7-13(2)11-16/h4-11,14H,1-3H3
InChIKeyHQPPMKLYZAAMFT-UHFFFAOYSA-N
MW294.35 g/mol
LogP4.49
Rot. Bonds4

About 5-[1-(3-methylphenoxy)ethyl]-3-(3-methylphenyl)-1,2,4-oxadiazole

5-[1-(3-methylphenoxy)ethyl]-3-(3-methylphenyl)-1,2,4-oxadiazole (PubChem CID 6472807) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is 5-[1-(3-methylphenoxy)ethyl]-3-(3-methylphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[1-(3-methylphenoxy)ethyl]-3-(3-methylphenyl)-1,2,4-oxadiazole
PubChem CID6472807
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name5-[1-(3-methylphenoxy)ethyl]-3-(3-methylphenyl)-1,2,4-oxadiazole
SMILESCc1cccc(OC(C)c2nc(-c3cccc(C)c3)no2)c1
InChIInChI=1S/C18H18N2O2/c1-12-6-4-8-15(10-12)17-19-18(22-20-17)14(3)21-16-9-5-7-13(2)11-16/h4-11,14H,1-3H3
InChIKeyHQPPMKLYZAAMFT-UHFFFAOYSA-N
XLogP4.49
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-methoxyphenyl)-5-[(1R)-1-phenoxyethyl]-1,2,4-oxadiazole
CID 7356906
5-[(1S)-1-(3-chlorophenoxy)ethyl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole
CID 7385204
5-[1-(4-methylphenoxy)ethyl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 17383688
2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pentan-3-one
CID 63561813
3-(3,4-dimethoxyphenyl)-5-[1-(4-methylphenoxy)ethyl]-1,2,4-oxadiazole
CID 3160232
3-(4-bromophenyl)-5-[(1R)-1-(3-chlorophenoxy)ethyl]-1,2,4-oxadiazole
CID 1313859
5-[1-(4-methoxyphenoxy)ethyl]-3-phenyl-1,2,4-oxadiazole
CID 2953085
5-[(1S)-1-(4-methoxyphenoxy)ethyl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 925226
5-[(1R)-1-(4-methylphenoxy)ethyl]-3-pyridin-4-yl-1,2,4-oxadiazole
CID 7233187
3-(4-methoxyphenyl)-5-(1-phenoxyethyl)-1,2,4-oxadiazole
CID 4312065
5-[1-(3-chlorophenoxy)ethyl]-3-[3-(2-ethylpyrazol-3-yl)phenyl]-1,2,4-oxadiazole
CID 53012119
2,2-dimethyl-N-[(1S)-1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]propanamide
CID 7449663

Frequently Asked Questions

What is the IUPAC name of 5-[1-(3-methylphenoxy)ethyl]-3-(3-methylphenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[1-(3-methylphenoxy)ethyl]-3-(3-methylphenyl)-1,2,4-oxadiazole (CID 6472807) is 5-[1-(3-methylphenoxy)ethyl]-3-(3-methylphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[1-(3-methylphenoxy)ethyl]-3-(3-methylphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[1-(3-methylphenoxy)ethyl]-3-(3-methylphenyl)-1,2,4-oxadiazole is Cc1cccc(OC(C)c2nc(-c3cccc(C)c3)no2)c1.
What is the InChIKey of 5-[1-(3-methylphenoxy)ethyl]-3-(3-methylphenyl)-1,2,4-oxadiazole?
The InChIKey is HQPPMKLYZAAMFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-12-6-4-8-15(10-12)17-19-18(22-20-17)14(3)21-16-9-5-7-13(2)11-16/h4-11,14H,1-3H3.
What are the key properties of 5-[1-(3-methylphenoxy)ethyl]-3-(3-methylphenyl)-1,2,4-oxadiazole?
5-[1-(3-methylphenoxy)ethyl]-3-(3-methylphenyl)-1,2,4-oxadiazole has a molecular weight of 294.35 g/mol, XLogP of 4.49, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(3-methylphenoxy)ethyl]-3-(3-methylphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 6472807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).