methane;2,4,4-trimethyl-5H-1,3-oxazole

C7H15NO — CID 159720715

IUPACmethane;2,4,4-trimethyl-5H-1,3-oxazole
SMILESC.CC1=NC(C)(C)CO1
InChIInChI=1S/C6H11NO.CH4/c1-5-7-6(2,3)4-8-5;/h4H2,1-3H3;1H4
InChIKeyMZZOFZQVGJMNJN-UHFFFAOYSA-N
MW129.20 g/mol
LogP1.85
Rot. Bonds

About methane;2,4,4-trimethyl-5H-1,3-oxazole

methane;2,4,4-trimethyl-5H-1,3-oxazole (PubChem CID 159720715) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is methane;2,4,4-trimethyl-5H-1,3-oxazole.

Molecular Properties

Compound Namemethane;2,4,4-trimethyl-5H-1,3-oxazole
PubChem CID159720715
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Namemethane;2,4,4-trimethyl-5H-1,3-oxazole
SMILESC.CC1=NC(C)(C)CO1
InChIInChI=1S/C6H11NO.CH4/c1-5-7-6(2,3)4-8-5;/h4H2,1-3H3;1H4
InChIKeyMZZOFZQVGJMNJN-UHFFFAOYSA-N
XLogP1.85
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methane;2,4,4-trimethyl-5H-1,3-oxazole?
The IUPAC name of methane;2,4,4-trimethyl-5H-1,3-oxazole (CID 159720715) is methane;2,4,4-trimethyl-5H-1,3-oxazole.
What is the SMILES notation for methane;2,4,4-trimethyl-5H-1,3-oxazole?
The canonical SMILES for methane;2,4,4-trimethyl-5H-1,3-oxazole is C.CC1=NC(C)(C)CO1.
What is the InChIKey of methane;2,4,4-trimethyl-5H-1,3-oxazole?
The InChIKey is MZZOFZQVGJMNJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO.CH4/c1-5-7-6(2,3)4-8-5;/h4H2,1-3H3;1H4.
What are the key properties of methane;2,4,4-trimethyl-5H-1,3-oxazole?
methane;2,4,4-trimethyl-5H-1,3-oxazole has a molecular weight of 129.20 g/mol, XLogP of 1.85, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methane;2,4,4-trimethyl-5H-1,3-oxazole is sourced from PubChem (CID 159720715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).