4,5-dimethyl-3-phenyl-5H-1,2,4-oxadiazole;ethane

C12H18N2O — CID 143792426

IUPAC4,5-dimethyl-3-phenyl-5H-1,2,4-oxadiazole;ethane
SMILESCC.CC1ON=C(c2ccccc2)N1C
InChIInChI=1S/C10H12N2O.C2H6/c1-8-12(2)10(11-13-8)9-6-4-3-5-7-9;1-2/h3-8H,1-2H3;1-2H3
InChIKeyNUYJHZBCMCIPOU-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.68
Rot. Bonds1

About 4,5-dimethyl-3-phenyl-5H-1,2,4-oxadiazole;ethane

4,5-dimethyl-3-phenyl-5H-1,2,4-oxadiazole;ethane (PubChem CID 143792426) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 4,5-dimethyl-3-phenyl-5H-1,2,4-oxadiazole;ethane.

Molecular Properties

Compound Name4,5-dimethyl-3-phenyl-5H-1,2,4-oxadiazole;ethane
PubChem CID143792426
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name4,5-dimethyl-3-phenyl-5H-1,2,4-oxadiazole;ethane
SMILESCC.CC1ON=C(c2ccccc2)N1C
InChIInChI=1S/C10H12N2O.C2H6/c1-8-12(2)10(11-13-8)9-6-4-3-5-7-9;1-2/h3-8H,1-2H3;1-2H3
InChIKeyNUYJHZBCMCIPOU-UHFFFAOYSA-N
XLogP2.68
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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N'-tert-butyl-N,N-diethylbenzenecarboximidamide
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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-3-phenyl-5H-1,2,4-oxadiazole;ethane?
The IUPAC name of 4,5-dimethyl-3-phenyl-5H-1,2,4-oxadiazole;ethane (CID 143792426) is 4,5-dimethyl-3-phenyl-5H-1,2,4-oxadiazole;ethane.
What is the SMILES notation for 4,5-dimethyl-3-phenyl-5H-1,2,4-oxadiazole;ethane?
The canonical SMILES for 4,5-dimethyl-3-phenyl-5H-1,2,4-oxadiazole;ethane is CC.CC1ON=C(c2ccccc2)N1C.
What is the InChIKey of 4,5-dimethyl-3-phenyl-5H-1,2,4-oxadiazole;ethane?
The InChIKey is NUYJHZBCMCIPOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O.C2H6/c1-8-12(2)10(11-13-8)9-6-4-3-5-7-9;1-2/h3-8H,1-2H3;1-2H3.
What are the key properties of 4,5-dimethyl-3-phenyl-5H-1,2,4-oxadiazole;ethane?
4,5-dimethyl-3-phenyl-5H-1,2,4-oxadiazole;ethane has a molecular weight of 206.29 g/mol, XLogP of 2.68, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-3-phenyl-5H-1,2,4-oxadiazole;ethane is sourced from PubChem (CID 143792426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).