2-(3-methylphenyl)-5-[(2,3,6-trimethylphenoxy)methyl]-1,3,4-oxadiazole

C19H20N2O2 — CID 110655612

IUPAC2-(3-methylphenyl)-5-[(2,3,6-trimethylphenoxy)methyl]-1,3,4-oxadiazole
SMILESCc1cccc(-c2nnc(COc3c(C)ccc(C)c3C)o2)c1
InChIInChI=1S/C19H20N2O2/c1-12-6-5-7-16(10-12)19-21-20-17(23-19)11-22-18-14(3)9-8-13(2)15(18)4/h5-10H,11H2,1-4H3
InChIKeyCJTTXJRMCNXXRN-UHFFFAOYSA-N
MW308.38 g/mol
LogP4.55
Rot. Bonds4

About 2-(3-methylphenyl)-5-[(2,3,6-trimethylphenoxy)methyl]-1,3,4-oxadiazole

2-(3-methylphenyl)-5-[(2,3,6-trimethylphenoxy)methyl]-1,3,4-oxadiazole (PubChem CID 110655612) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is 2-(3-methylphenyl)-5-[(2,3,6-trimethylphenoxy)methyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(3-methylphenyl)-5-[(2,3,6-trimethylphenoxy)methyl]-1,3,4-oxadiazole
PubChem CID110655612
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Name2-(3-methylphenyl)-5-[(2,3,6-trimethylphenoxy)methyl]-1,3,4-oxadiazole
SMILESCc1cccc(-c2nnc(COc3c(C)ccc(C)c3C)o2)c1
InChIInChI=1S/C19H20N2O2/c1-12-6-5-7-16(10-12)19-21-20-17(23-19)11-22-18-14(3)9-8-13(2)15(18)4/h5-10H,11H2,1-4H3
InChIKeyCJTTXJRMCNXXRN-UHFFFAOYSA-N
XLogP4.55
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-methoxy-4-methylphenoxy)methyl]-5-(3-methylphenyl)-1,3,4-oxadiazole
CID 110655620
2-(3-methylphenyl)-5-[(4-phenoxyphenoxy)methyl]-1,3,4-oxadiazole
CID 110655626
2-[(2,3-dichlorophenoxy)methyl]-5-(3-methylphenyl)-1,3,4-oxadiazole
CID 110655632
2-[(4-ethylsulfanylphenoxy)methyl]-5-(3-methylphenyl)-1,3,4-oxadiazole
CID 23660823
2-[(4-chloro-2-methylphenoxy)methyl]-5-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-1,3,4-oxadiazole
CID 92645269
[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl 2-methylsulfanylpyridine-3-carboxylate
CID 9343649
5-[(2,3,6-trimethylphenoxy)methyl]-1,3,4-oxadiazole-2-carboxylic acid
CID 39362069
[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl 4-(hydroxymethyl)benzoate
CID 8845155
2-[(2,6-dimethylphenoxy)methyl]-5-methyl-1,3,4-oxadiazole
CID 78906446
methyl N-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]carbamate
CID 110319437
2-[(2-bromo-4-methylphenoxy)methyl]-5-phenyl-1,3,4-oxadiazole
CID 16583524
[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl 4-cyanobenzoate
CID 9201836

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)-5-[(2,3,6-trimethylphenoxy)methyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(3-methylphenyl)-5-[(2,3,6-trimethylphenoxy)methyl]-1,3,4-oxadiazole (CID 110655612) is 2-(3-methylphenyl)-5-[(2,3,6-trimethylphenoxy)methyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(3-methylphenyl)-5-[(2,3,6-trimethylphenoxy)methyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(3-methylphenyl)-5-[(2,3,6-trimethylphenoxy)methyl]-1,3,4-oxadiazole is Cc1cccc(-c2nnc(COc3c(C)ccc(C)c3C)o2)c1.
What is the InChIKey of 2-(3-methylphenyl)-5-[(2,3,6-trimethylphenoxy)methyl]-1,3,4-oxadiazole?
The InChIKey is CJTTXJRMCNXXRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-12-6-5-7-16(10-12)19-21-20-17(23-19)11-22-18-14(3)9-8-13(2)15(18)4/h5-10H,11H2,1-4H3.
What are the key properties of 2-(3-methylphenyl)-5-[(2,3,6-trimethylphenoxy)methyl]-1,3,4-oxadiazole?
2-(3-methylphenyl)-5-[(2,3,6-trimethylphenoxy)methyl]-1,3,4-oxadiazole has a molecular weight of 308.38 g/mol, XLogP of 4.55, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenyl)-5-[(2,3,6-trimethylphenoxy)methyl]-1,3,4-oxadiazole is sourced from PubChem (CID 110655612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).