3,5-dimethyl-1,2-oxazole;methane

C6H11NO — CID 162114046

IUPAC3,5-dimethyl-1,2-oxazole;methane
SMILESC.Cc1cc(C)on1
InChIInChI=1S/C5H7NO.CH4/c1-4-3-5(2)7-6-4;/h3H,1-2H3;1H4
InChIKeyZGNKTVUOWNDODC-UHFFFAOYSA-N
MW113.16 g/mol
LogP1.93
Rot. Bonds

About 3,5-dimethyl-1,2-oxazole;methane

3,5-dimethyl-1,2-oxazole;methane (PubChem CID 162114046) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is 3,5-dimethyl-1,2-oxazole;methane.

Molecular Properties

Compound Name3,5-dimethyl-1,2-oxazole;methane
PubChem CID162114046
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name3,5-dimethyl-1,2-oxazole;methane
SMILESC.Cc1cc(C)on1
InChIInChI=1S/C5H7NO.CH4/c1-4-3-5(2)7-6-4;/h3H,1-2H3;1H4
InChIKeyZGNKTVUOWNDODC-UHFFFAOYSA-N
XLogP1.93
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3,5-dimethyl-1,2-oxazole;methane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-chloro-5-methyl-1,2-oxazole;ethane
CID 168950747
potassium 5-methyl-1,2-oxazol-3-olate
CID 23697409
N-(5-methyl-1,2-oxazol-3-yl)hydroxylamine
CID 172819404
3-methyl-5-(5-methylfuran-2-yl)-1,2-oxazole
CID 116868998
N-iodo-3-methyl-1,2-oxazol-5-amine
CID 88565628
N,N-dideuterio-3-methyl-1,2-oxazol-5-amine
CID 44887048
CID 89270748
CID 89270748
hydroxylamine;5-methyl-1,2-oxazol-3-amine;hydrochloride
CID 174888282
3-isocyano-5-methyl-1,2-oxazole
CID 83478513
(1R)-1-(3-methyl-1,2-oxazol-5-yl)ethanol
CID 86316026
3-(1-iodoethyl)-5-methyl-1,2-oxazole
CID 122594172
ethane;1-(5-methyl-1,2-oxazol-3-yl)ethanone
CID 144886330

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1,2-oxazole;methane?
The IUPAC name of 3,5-dimethyl-1,2-oxazole;methane (CID 162114046) is 3,5-dimethyl-1,2-oxazole;methane.
What is the SMILES notation for 3,5-dimethyl-1,2-oxazole;methane?
The canonical SMILES for 3,5-dimethyl-1,2-oxazole;methane is C.Cc1cc(C)on1.
What is the InChIKey of 3,5-dimethyl-1,2-oxazole;methane?
The InChIKey is ZGNKTVUOWNDODC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO.CH4/c1-4-3-5(2)7-6-4;/h3H,1-2H3;1H4.
What are the key properties of 3,5-dimethyl-1,2-oxazole;methane?
3,5-dimethyl-1,2-oxazole;methane has a molecular weight of 113.16 g/mol, XLogP of 1.93, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1,2-oxazole;methane is sourced from PubChem (CID 162114046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).