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

C8H13NO — CID 11819147

IUPAC4-butyl-3-methyl-1,2-oxazole
SMILESCCCCc1conc1C
InChIInChI=1S/C8H13NO/c1-3-4-5-8-6-10-9-7(8)2/h6H,3-5H2,1-2H3
InChIKeyZIWPPOJMWWFHLA-UHFFFAOYSA-N
MW139.20 g/mol
LogP2.33
Rot. Bonds3

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

4-butyl-3-methyl-1,2-oxazole (PubChem CID 11819147) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 4-butyl-3-methyl-1,2-oxazole.

Molecular Properties

Compound Name4-butyl-3-methyl-1,2-oxazole
PubChem CID11819147
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name4-butyl-3-methyl-1,2-oxazole
SMILESCCCCc1conc1C
InChIInChI=1S/C8H13NO/c1-3-4-5-8-6-10-9-7(8)2/h6H,3-5H2,1-2H3
InChIKeyZIWPPOJMWWFHLA-UHFFFAOYSA-N
XLogP2.33
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-butyl-3-phenyl-1,2-oxazole
CID 20616768
3-(methoxymethyl)-4-pentyl-1,2-oxazole
CID 67274471
7-butyl-2,1-benzoxazole
CID 67428244
4-decyl-1,2-oxazole-3-carboxylic acid
CID 151748779
1-(1,3-dihydroisoindol-2-yl)-3-(3-methyl-1,2-oxazol-4-yl)propan-1-one
CID 141295992
1,2,3,4-tetrabutylbenzene
CID 11220391
3,4,5-tributylpyridine
CID 173010708
3-(4-propyl-1,2-oxazol-3-yl)propan-1-amine
CID 105422700
3-methyl-4-propoxy-1,2-oxazole
CID 170023610
N-(1-aminopropan-2-yl)-3-(3-methyl-1,2-oxazol-4-yl)propanamide
CID 110834106
(2S)-2-[3-(3-methyl-1,2-oxazol-4-yl)propanoylamino]propanoic acid
CID 110837052
1,2,3,4,5,6-hexabutylbenzene
CID 12586860

Frequently Asked Questions

What is the IUPAC name of 4-butyl-3-methyl-1,2-oxazole?
The IUPAC name of 4-butyl-3-methyl-1,2-oxazole (CID 11819147) is 4-butyl-3-methyl-1,2-oxazole.
What is the SMILES notation for 4-butyl-3-methyl-1,2-oxazole?
The canonical SMILES for 4-butyl-3-methyl-1,2-oxazole is CCCCc1conc1C.
What is the InChIKey of 4-butyl-3-methyl-1,2-oxazole?
The InChIKey is ZIWPPOJMWWFHLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-3-4-5-8-6-10-9-7(8)2/h6H,3-5H2,1-2H3.
What are the key properties of 4-butyl-3-methyl-1,2-oxazole?
4-butyl-3-methyl-1,2-oxazole has a molecular weight of 139.20 g/mol, XLogP of 2.33, 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-1,2-oxazole is sourced from PubChem (CID 11819147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).