2-methyl-5-methylidene-4H-1,3-oxazole

C5H7NO — CID 66801150

IUPAC2-methyl-5-methylidene-4H-1,3-oxazole
SMILESC=C1CN=C(C)O1
InChIInChI=1S/C5H7NO/c1-4-3-6-5(2)7-4/h1,3H2,2H3
InChIKeyPDAOPYXJDSPGJR-UHFFFAOYSA-N
MW97.12 g/mol
LogP0.95
Rot. Bonds

About 2-methyl-5-methylidene-4H-1,3-oxazole

2-methyl-5-methylidene-4H-1,3-oxazole (PubChem CID 66801150) has the molecular formula C5H7NO and a molecular weight of 97.12 g/mol. Its IUPAC name is 2-methyl-5-methylidene-4H-1,3-oxazole.

Molecular Properties

Compound Name2-methyl-5-methylidene-4H-1,3-oxazole
PubChem CID66801150
Molecular FormulaC5H7NO
Molecular Weight97.12 g/mol
Exact Mass97.05
IUPAC Name2-methyl-5-methylidene-4H-1,3-oxazole
SMILESC=C1CN=C(C)O1
InChIInChI=1S/C5H7NO/c1-4-3-6-5(2)7-4/h1,3H2,2H3
InChIKeyPDAOPYXJDSPGJR-UHFFFAOYSA-N
XLogP0.95
TPSA21.59 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 ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-methylidene-4H-1,3-oxazole?
The IUPAC name of 2-methyl-5-methylidene-4H-1,3-oxazole (CID 66801150) is 2-methyl-5-methylidene-4H-1,3-oxazole.
What is the SMILES notation for 2-methyl-5-methylidene-4H-1,3-oxazole?
The canonical SMILES for 2-methyl-5-methylidene-4H-1,3-oxazole is C=C1CN=C(C)O1.
What is the InChIKey of 2-methyl-5-methylidene-4H-1,3-oxazole?
The InChIKey is PDAOPYXJDSPGJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO/c1-4-3-6-5(2)7-4/h1,3H2,2H3.
What are the key properties of 2-methyl-5-methylidene-4H-1,3-oxazole?
2-methyl-5-methylidene-4H-1,3-oxazole has a molecular weight of 97.12 g/mol, XLogP of 0.95, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-methylidene-4H-1,3-oxazole is sourced from PubChem (CID 66801150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).