4-butyl-3-methyl-4,5-dihydro-1,2-oxazole

C8H15NO — CID 12529602

IUPAC4-butyl-3-methyl-4,5-dihydro-1,2-oxazole
SMILESCCCCC1CON=C1C
InChIInChI=1S/C8H15NO/c1-3-4-5-8-6-10-9-7(8)2/h8H,3-6H2,1-2H3
InChIKeyAVKUVZCKDTVMHQ-UHFFFAOYSA-N
MW141.21 g/mol
LogP2.20
Rot. Bonds3

About 4-butyl-3-methyl-4,5-dihydro-1,2-oxazole

4-butyl-3-methyl-4,5-dihydro-1,2-oxazole (PubChem CID 12529602) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 4-butyl-3-methyl-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name4-butyl-3-methyl-4,5-dihydro-1,2-oxazole
PubChem CID12529602
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name4-butyl-3-methyl-4,5-dihydro-1,2-oxazole
SMILESCCCCC1CON=C1C
InChIInChI=1S/C8H15NO/c1-3-4-5-8-6-10-9-7(8)2/h8H,3-6H2,1-2H3
InChIKeyAVKUVZCKDTVMHQ-UHFFFAOYSA-N
XLogP2.20
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,3a,4,5,6,7-Hexahydro-2,1-benzisoxazole
CID 13523875
3-Propan-2-yl-4,5-dihydro-1,2-oxazole
CID 19017381
5-Methyl-3-propan-2-yl-4,5-dihydro-1,2-oxazole
CID 20671522
(E)-N-hexoxy-3-methylbutan-2-imine
CID 21300316
3-(6-Ethyloctan-4-yl)-4,5-dihydro-1,2-oxazole
CID 23035833
(E)-3-methyl-N-(5-methylhexoxy)butan-2-imine
CID 58313233
(E)-3-methyl-N-(6-methylheptoxy)butan-2-imine
CID 58462641
3-Propan-2-yl-4,5,6,7-tetrahydrooxazepine
CID 58473774
3-propan-2-yl-5,6-dihydro-4H-oxazine
CID 58473781
(Z)-N-hexoxy-3-methylbutan-2-imine
CID 60073554
3,5-Di(propan-2-yl)-4,5-dihydro-1,2-oxazole
CID 60140556
5-Propan-2-yl-3-propyl-4,5-dihydro-1,2-oxazole
CID 68272836

Frequently Asked Questions

What is the IUPAC name of 4-butyl-3-methyl-4,5-dihydro-1,2-oxazole?
The IUPAC name of 4-butyl-3-methyl-4,5-dihydro-1,2-oxazole (CID 12529602) is 4-butyl-3-methyl-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for 4-butyl-3-methyl-4,5-dihydro-1,2-oxazole?
The canonical SMILES for 4-butyl-3-methyl-4,5-dihydro-1,2-oxazole is CCCCC1CON=C1C.
What is the InChIKey of 4-butyl-3-methyl-4,5-dihydro-1,2-oxazole?
The InChIKey is AVKUVZCKDTVMHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-3-4-5-8-6-10-9-7(8)2/h8H,3-6H2,1-2H3.
What are the key properties of 4-butyl-3-methyl-4,5-dihydro-1,2-oxazole?
4-butyl-3-methyl-4,5-dihydro-1,2-oxazole has a molecular weight of 141.21 g/mol, XLogP of 2.20, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-3-methyl-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 12529602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).