3-tert-butyl-2-methylidene-1,3-oxazole

C8H13NO — CID 59831180

IUPAC3-tert-butyl-2-methylidene-1,3-oxazole
SMILESC=C1OC=CN1C(C)(C)C
InChIInChI=1S/C8H13NO/c1-7-9(5-6-10-7)8(2,3)4/h5-6H,1H2,2-4H3
InChIKeySRLAJXHSRDQBKL-UHFFFAOYSA-N
MW139.20 g/mol
LogP2.06
Rot. Bonds

About 3-tert-butyl-2-methylidene-1,3-oxazole

3-tert-butyl-2-methylidene-1,3-oxazole (PubChem CID 59831180) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 3-tert-butyl-2-methylidene-1,3-oxazole.

Molecular Properties

Compound Name3-tert-butyl-2-methylidene-1,3-oxazole
PubChem CID59831180
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name3-tert-butyl-2-methylidene-1,3-oxazole
SMILESC=C1OC=CN1C(C)(C)C
InChIInChI=1S/C8H13NO/c1-7-9(5-6-10-7)8(2,3)4/h5-6H,1H2,2-4H3
InChIKeySRLAJXHSRDQBKL-UHFFFAOYSA-N
XLogP2.06
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-2-methylidene-1,3-oxazole?
The IUPAC name of 3-tert-butyl-2-methylidene-1,3-oxazole (CID 59831180) is 3-tert-butyl-2-methylidene-1,3-oxazole.
What is the SMILES notation for 3-tert-butyl-2-methylidene-1,3-oxazole?
The canonical SMILES for 3-tert-butyl-2-methylidene-1,3-oxazole is C=C1OC=CN1C(C)(C)C.
What is the InChIKey of 3-tert-butyl-2-methylidene-1,3-oxazole?
The InChIKey is SRLAJXHSRDQBKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-7-9(5-6-10-7)8(2,3)4/h5-6H,1H2,2-4H3.
What are the key properties of 3-tert-butyl-2-methylidene-1,3-oxazole?
3-tert-butyl-2-methylidene-1,3-oxazole has a molecular weight of 139.20 g/mol, XLogP of 2.06, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-2-methylidene-1,3-oxazole is sourced from PubChem (CID 59831180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).