(5E)-4-methyl-5-(3-methylbut-2-enylidene)-2H-1,3-oxazole

C9H13NO — CID 123968802

IUPAC(5E)-4-methyl-5-(3-methylbut-2-enylidene)-2H-1,3-oxazole
SMILESCC(C)=C/C=C1/OCN=C1C
InChIInChI=1S/C9H13NO/c1-7(2)4-5-9-8(3)10-6-11-9/h4-5H,6H2,1-3H3/b9-5+
InChIKeyQHJGPSXVPQAQMJ-WEVVVXLNSA-N
MW151.21 g/mol
LogP2.29
Rot. Bonds1

About (5E)-4-methyl-5-(3-methylbut-2-enylidene)-2H-1,3-oxazole

(5E)-4-methyl-5-(3-methylbut-2-enylidene)-2H-1,3-oxazole (PubChem CID 123968802) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is (5E)-4-methyl-5-(3-methylbut-2-enylidene)-2H-1,3-oxazole.

Molecular Properties

Compound Name(5E)-4-methyl-5-(3-methylbut-2-enylidene)-2H-1,3-oxazole
PubChem CID123968802
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name(5E)-4-methyl-5-(3-methylbut-2-enylidene)-2H-1,3-oxazole
SMILESCC(C)=C/C=C1/OCN=C1C
InChIInChI=1S/C9H13NO/c1-7(2)4-5-9-8(3)10-6-11-9/h4-5H,6H2,1-3H3/b9-5+
InChIKeyQHJGPSXVPQAQMJ-WEVVVXLNSA-N
XLogP2.29
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5E)-4-methyl-5-(3-methylbut-2-enylidene)-2H-1,3-oxazole?
The IUPAC name of (5E)-4-methyl-5-(3-methylbut-2-enylidene)-2H-1,3-oxazole (CID 123968802) is (5E)-4-methyl-5-(3-methylbut-2-enylidene)-2H-1,3-oxazole.
What is the SMILES notation for (5E)-4-methyl-5-(3-methylbut-2-enylidene)-2H-1,3-oxazole?
The canonical SMILES for (5E)-4-methyl-5-(3-methylbut-2-enylidene)-2H-1,3-oxazole is CC(C)=C/C=C1/OCN=C1C.
What is the InChIKey of (5E)-4-methyl-5-(3-methylbut-2-enylidene)-2H-1,3-oxazole?
The InChIKey is QHJGPSXVPQAQMJ-WEVVVXLNSA-N. The full InChI is InChI=1S/C9H13NO/c1-7(2)4-5-9-8(3)10-6-11-9/h4-5H,6H2,1-3H3/b9-5+.
What are the key properties of (5E)-4-methyl-5-(3-methylbut-2-enylidene)-2H-1,3-oxazole?
(5E)-4-methyl-5-(3-methylbut-2-enylidene)-2H-1,3-oxazole has a molecular weight of 151.21 g/mol, XLogP of 2.29, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-4-methyl-5-(3-methylbut-2-enylidene)-2H-1,3-oxazole is sourced from PubChem (CID 123968802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).