2-[(E)-3-methylbut-1-enyl]-1,3-oxazole

C8H11NO — CID 21132588

IUPAC2-[(E)-3-methylbut-1-enyl]-1,3-oxazole
SMILESCC(C)/C=C/c1ncco1
InChIInChI=1S/C8H11NO/c1-7(2)3-4-8-9-5-6-10-8/h3-7H,1-2H3/b4-3+
InChIKeyGUYLXGGPGMZPJJ-ONEGZZNKSA-N
MW137.18 g/mol
LogP2.34
Rot. Bonds2

About 2-[(E)-3-methylbut-1-enyl]-1,3-oxazole

2-[(E)-3-methylbut-1-enyl]-1,3-oxazole (PubChem CID 21132588) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is 2-[(E)-3-methylbut-1-enyl]-1,3-oxazole.

Molecular Properties

Compound Name2-[(E)-3-methylbut-1-enyl]-1,3-oxazole
PubChem CID21132588
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC Name2-[(E)-3-methylbut-1-enyl]-1,3-oxazole
SMILESCC(C)/C=C/c1ncco1
InChIInChI=1S/C8H11NO/c1-7(2)3-4-8-9-5-6-10-8/h3-7H,1-2H3/b4-3+
InChIKeyGUYLXGGPGMZPJJ-ONEGZZNKSA-N
XLogP2.34
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.18
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-3-methylbut-1-enyl]-1,3-oxazole?
The IUPAC name of 2-[(E)-3-methylbut-1-enyl]-1,3-oxazole (CID 21132588) is 2-[(E)-3-methylbut-1-enyl]-1,3-oxazole.
What is the SMILES notation for 2-[(E)-3-methylbut-1-enyl]-1,3-oxazole?
The canonical SMILES for 2-[(E)-3-methylbut-1-enyl]-1,3-oxazole is CC(C)/C=C/c1ncco1.
What is the InChIKey of 2-[(E)-3-methylbut-1-enyl]-1,3-oxazole?
The InChIKey is GUYLXGGPGMZPJJ-ONEGZZNKSA-N. The full InChI is InChI=1S/C8H11NO/c1-7(2)3-4-8-9-5-6-10-8/h3-7H,1-2H3/b4-3+.
What are the key properties of 2-[(E)-3-methylbut-1-enyl]-1,3-oxazole?
2-[(E)-3-methylbut-1-enyl]-1,3-oxazole has a molecular weight of 137.18 g/mol, XLogP of 2.34, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-3-methylbut-1-enyl]-1,3-oxazole is sourced from PubChem (CID 21132588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).