5-(2,4-dimethylphenyl)-2H-1,2,5-oxadiazole

C10H12N2O — CID 123300866

IUPAC5-(2,4-dimethylphenyl)-2H-1,2,5-oxadiazole
SMILESCc1ccc(N2C=CNO2)c(C)c1
InChIInChI=1S/C10H12N2O/c1-8-3-4-10(9(2)7-8)12-6-5-11-13-12/h3-7,11H,1-2H3
InChIKeyMDFVNDLNNSJEQE-UHFFFAOYSA-N
MW176.22 g/mol
LogP2.03
Rot. Bonds1

About 5-(2,4-dimethylphenyl)-2H-1,2,5-oxadiazole

5-(2,4-dimethylphenyl)-2H-1,2,5-oxadiazole (PubChem CID 123300866) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is 5-(2,4-dimethylphenyl)-2H-1,2,5-oxadiazole.

Molecular Properties

Compound Name5-(2,4-dimethylphenyl)-2H-1,2,5-oxadiazole
PubChem CID123300866
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC Name5-(2,4-dimethylphenyl)-2H-1,2,5-oxadiazole
SMILESCc1ccc(N2C=CNO2)c(C)c1
InChIInChI=1S/C10H12N2O/c1-8-3-4-10(9(2)7-8)12-6-5-11-13-12/h3-7,11H,1-2H3
InChIKeyMDFVNDLNNSJEQE-UHFFFAOYSA-N
XLogP2.03
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-dimethylphenyl)pyrazole
CID 13066329
3-(2,4-dimethylphenyl)-2-phenyl-1,2-dihydroimidazole
CID 144591051
CID 175892141
CID 175892141
ethane;1-fluoro-2,4-dimethylbenzene
CID 123541236
1-(2,4-dimethylphenyl)-5-methylpyrazol-3-amine
CID 62679820
1-(2,4-dimethylphenyl)pyridine-4-thione
CID 158299415
1-(2,4-dimethylphenyl)-2-methyl-3-(4-methylphenyl)-2H-imidazole
CID 138528598
3,4-dichloro-1-(2,4-dimethylphenyl)pyrrole-2,5-dione
CID 709008
1,2,4-trimethylbenzene
CID 7247
4-(2,4-dimethylphenyl)-3-[(1S)-1-(4-fluorophenyl)ethyl]sulfanyl-1,2,4-triazole
CID 31971974
2,4-dimethylphenol
CID 67713801
1,3-bis(2,4-dimethylphenyl)-1,3-diazinane-2,4,6-trione
CID 5121465

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dimethylphenyl)-2H-1,2,5-oxadiazole?
The IUPAC name of 5-(2,4-dimethylphenyl)-2H-1,2,5-oxadiazole (CID 123300866) is 5-(2,4-dimethylphenyl)-2H-1,2,5-oxadiazole.
What is the SMILES notation for 5-(2,4-dimethylphenyl)-2H-1,2,5-oxadiazole?
The canonical SMILES for 5-(2,4-dimethylphenyl)-2H-1,2,5-oxadiazole is Cc1ccc(N2C=CNO2)c(C)c1.
What is the InChIKey of 5-(2,4-dimethylphenyl)-2H-1,2,5-oxadiazole?
The InChIKey is MDFVNDLNNSJEQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O/c1-8-3-4-10(9(2)7-8)12-6-5-11-13-12/h3-7,11H,1-2H3.
What are the key properties of 5-(2,4-dimethylphenyl)-2H-1,2,5-oxadiazole?
5-(2,4-dimethylphenyl)-2H-1,2,5-oxadiazole has a molecular weight of 176.22 g/mol, XLogP of 2.03, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dimethylphenyl)-2H-1,2,5-oxadiazole is sourced from PubChem (CID 123300866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).