3-methyl-2-methylidene-1,3-oxazole

C5H7NO — CID 59815583

IUPAC3-methyl-2-methylidene-1,3-oxazole
SMILESC=C1OC=CN1C
InChIInChI=1S/C5H7NO/c1-5-6(2)3-4-7-5/h3-4H,1H2,2H3
InChIKeyICJJXKTYWGWHLD-UHFFFAOYSA-N
MW97.12 g/mol
LogP0.89
Rot. Bonds

About 3-methyl-2-methylidene-1,3-oxazole

3-methyl-2-methylidene-1,3-oxazole (PubChem CID 59815583) has the molecular formula C5H7NO and a molecular weight of 97.12 g/mol. Its IUPAC name is 3-methyl-2-methylidene-1,3-oxazole.

Molecular Properties

Compound Name3-methyl-2-methylidene-1,3-oxazole
PubChem CID59815583
Molecular FormulaC5H7NO
Molecular Weight97.12 g/mol
Exact Mass97.05
IUPAC Name3-methyl-2-methylidene-1,3-oxazole
SMILESC=C1OC=CN1C
InChIInChI=1S/C5H7NO/c1-5-6(2)3-4-7-5/h3-4H,1H2,2H3
InChIKeyICJJXKTYWGWHLD-UHFFFAOYSA-N
XLogP0.89
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50097.12
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-Methyl-1,4-oxazine
CID 15331497
4-Ethyl-1,4-oxazine
CID 70658841
N-methyl oxazoline
CID 19079310
(E)-1-isocyano-2-methoxyethene
CID 21337554
N-ethyl oxazole
CID 23317920
N-methoxyoxazole
CID 123142661
2-methyl-3-(trifluoromethyl)-2H-1,3-oxazole
CID 90237576
2-Fluoro-4-methyl-1,4-oxazine
CID 175193944
[(Z)-2-methoxyethenyl]-trimethylazanium bromide
CID 134986601
[(Z)-2-ethoxyethenyl]-trimethylazanium bromide
CID 134986713
3-Methyl-1,3-oxazole-2-thione
CID 13828848
3-ethenyl-2H-1,3-oxazole
CID 18430596

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-methylidene-1,3-oxazole?
The IUPAC name of 3-methyl-2-methylidene-1,3-oxazole (CID 59815583) is 3-methyl-2-methylidene-1,3-oxazole.
What is the SMILES notation for 3-methyl-2-methylidene-1,3-oxazole?
The canonical SMILES for 3-methyl-2-methylidene-1,3-oxazole is C=C1OC=CN1C.
What is the InChIKey of 3-methyl-2-methylidene-1,3-oxazole?
The InChIKey is ICJJXKTYWGWHLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO/c1-5-6(2)3-4-7-5/h3-4H,1H2,2H3.
What are the key properties of 3-methyl-2-methylidene-1,3-oxazole?
3-methyl-2-methylidene-1,3-oxazole has a molecular weight of 97.12 g/mol, XLogP of 0.89, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-methylidene-1,3-oxazole is sourced from PubChem (CID 59815583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).