ethane;2-methyl-5-[3-(3-methylphenyl)phenyl]-1,3,4-oxadiazole

C18H20N2O — CID 166546394

IUPACethane;2-methyl-5-[3-(3-methylphenyl)phenyl]-1,3,4-oxadiazole
SMILESCC.Cc1cccc(-c2cccc(-c3nnc(C)o3)c2)c1
InChIInChI=1S/C16H14N2O.C2H6/c1-11-5-3-6-13(9-11)14-7-4-8-15(10-14)16-18-17-12(2)19-16;1-2/h3-10H,1-2H3;1-2H3
InChIKeyCSQLOYVIGPXWNP-UHFFFAOYSA-N
MW280.37 g/mol
LogP5.05
Rot. Bonds2

About ethane;2-methyl-5-[3-(3-methylphenyl)phenyl]-1,3,4-oxadiazole

ethane;2-methyl-5-[3-(3-methylphenyl)phenyl]-1,3,4-oxadiazole (PubChem CID 166546394) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is ethane;2-methyl-5-[3-(3-methylphenyl)phenyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Nameethane;2-methyl-5-[3-(3-methylphenyl)phenyl]-1,3,4-oxadiazole
PubChem CID166546394
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Nameethane;2-methyl-5-[3-(3-methylphenyl)phenyl]-1,3,4-oxadiazole
SMILESCC.Cc1cccc(-c2cccc(-c3nnc(C)o3)c2)c1
InChIInChI=1S/C16H14N2O.C2H6/c1-11-5-3-6-13(9-11)14-7-4-8-15(10-14)16-18-17-12(2)19-16;1-2/h3-10H,1-2H3;1-2H3
InChIKeyCSQLOYVIGPXWNP-UHFFFAOYSA-N
XLogP5.05
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.37
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(dichloromethyl)-5-(3-methylphenyl)-1,3,4-oxadiazole
CID 43913057
ethane;3-(5-methyl-1,3,4-oxadiazol-2-yl)benzonitrile
CID 144584571
ethane;1-methyl-3-[3-[3-(3-methylphenyl)phenyl]phenyl]benzene
CID 90845848
2-(3-methylphenyl)-5-pyridin-4-yl-1,3,4-oxadiazole
CID 872987
1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethanol
CID 66596920
methane;2-methyl-5-(3-prop-1-ynylphenyl)-1,3,4-oxadiazole
CID 161302444
2-[3-[3-[(1R)-1-methoxyethyl]phenyl]phenyl]-5-methyl-1,3,4-oxadiazole
CID 97437656
2-(3-methylphenyl)-5-[4-[tris[4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]phenyl]-1,3,4-oxadiazole
CID 153436703
2-(4-tert-butylphenyl)-5-[4-(3-methylphenyl)phenyl]-1,3,4-oxadiazole
CID 58003971
2-[(1S)-1-chloroethyl]-5-(3-methylphenyl)-1,3,4-oxadiazole
CID 7129414
5-(3-methylphenyl)-1,3,4-oxadiazole-2-carboxylic acid
CID 39240671
N-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-2-(3-methylphenyl)acetamide
CID 110725681

Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-5-[3-(3-methylphenyl)phenyl]-1,3,4-oxadiazole?
The IUPAC name of ethane;2-methyl-5-[3-(3-methylphenyl)phenyl]-1,3,4-oxadiazole (CID 166546394) is ethane;2-methyl-5-[3-(3-methylphenyl)phenyl]-1,3,4-oxadiazole.
What is the SMILES notation for ethane;2-methyl-5-[3-(3-methylphenyl)phenyl]-1,3,4-oxadiazole?
The canonical SMILES for ethane;2-methyl-5-[3-(3-methylphenyl)phenyl]-1,3,4-oxadiazole is CC.Cc1cccc(-c2cccc(-c3nnc(C)o3)c2)c1.
What is the InChIKey of ethane;2-methyl-5-[3-(3-methylphenyl)phenyl]-1,3,4-oxadiazole?
The InChIKey is CSQLOYVIGPXWNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O.C2H6/c1-11-5-3-6-13(9-11)14-7-4-8-15(10-14)16-18-17-12(2)19-16;1-2/h3-10H,1-2H3;1-2H3.
What are the key properties of ethane;2-methyl-5-[3-(3-methylphenyl)phenyl]-1,3,4-oxadiazole?
ethane;2-methyl-5-[3-(3-methylphenyl)phenyl]-1,3,4-oxadiazole has a molecular weight of 280.37 g/mol, XLogP of 5.05, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-5-[3-(3-methylphenyl)phenyl]-1,3,4-oxadiazole is sourced from PubChem (CID 166546394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).