3-(2,3-dimethylbutyl)-5-methyl-1,2-oxazole

C10H17NO — CID 171517933

IUPAC3-(2,3-dimethylbutyl)-5-methyl-1,2-oxazole
SMILESCc1cc(CC(C)C(C)C)no1
InChIInChI=1S/C10H17NO/c1-7(2)8(3)5-10-6-9(4)12-11-10/h6-8H,5H2,1-4H3
InChIKeyFTWQHUJOKBQIFJ-UHFFFAOYSA-N
MW167.25 g/mol
LogP2.82
Rot. Bonds3

About 3-(2,3-dimethylbutyl)-5-methyl-1,2-oxazole

3-(2,3-dimethylbutyl)-5-methyl-1,2-oxazole (PubChem CID 171517933) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 3-(2,3-dimethylbutyl)-5-methyl-1,2-oxazole.

Molecular Properties

Compound Name3-(2,3-dimethylbutyl)-5-methyl-1,2-oxazole
PubChem CID171517933
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name3-(2,3-dimethylbutyl)-5-methyl-1,2-oxazole
SMILESCc1cc(CC(C)C(C)C)no1
InChIInChI=1S/C10H17NO/c1-7(2)8(3)5-10-6-9(4)12-11-10/h6-8H,5H2,1-4H3
InChIKeyFTWQHUJOKBQIFJ-UHFFFAOYSA-N
XLogP2.82
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopropyl-2-(5-methyl-1,2-oxazol-3-yl)ethanamine
CID 83826909
CID 89270748
CID 89270748
5-methyl-3-(4-methylpentyl)-1,2-oxazole
CID 58970609
2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]propan-1-amine
CID 60686114
3-(5-methyl-1,2-oxazol-3-yl)propan-1-amine
CID 18071348
2-cyclopropyl-3-(5-methyl-1,2-oxazol-3-yl)propanal
CID 83828005
5-methyl-3-(2-methylpropyl)-1,2-oxazole;4-methyl-1-(2-methylpropyl)triazole
CID 159277047
3-butyl-5-methyl-1,2-oxazole
CID 19872036
(5-methyl-1,2-oxazol-3-yl)methylhydrazine
CID 66157923
5-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]hexan-2-amine
CID 60689913
3-but-3-enyl-5-methyl-1,2-oxazole
CID 15073752
ethyl-dimethyl-[(5-methyl-1,2-oxazol-3-yl)methyl]azanium
CID 91095029

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dimethylbutyl)-5-methyl-1,2-oxazole?
The IUPAC name of 3-(2,3-dimethylbutyl)-5-methyl-1,2-oxazole (CID 171517933) is 3-(2,3-dimethylbutyl)-5-methyl-1,2-oxazole.
What is the SMILES notation for 3-(2,3-dimethylbutyl)-5-methyl-1,2-oxazole?
The canonical SMILES for 3-(2,3-dimethylbutyl)-5-methyl-1,2-oxazole is Cc1cc(CC(C)C(C)C)no1.
What is the InChIKey of 3-(2,3-dimethylbutyl)-5-methyl-1,2-oxazole?
The InChIKey is FTWQHUJOKBQIFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-7(2)8(3)5-10-6-9(4)12-11-10/h6-8H,5H2,1-4H3.
What are the key properties of 3-(2,3-dimethylbutyl)-5-methyl-1,2-oxazole?
3-(2,3-dimethylbutyl)-5-methyl-1,2-oxazole has a molecular weight of 167.25 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dimethylbutyl)-5-methyl-1,2-oxazole is sourced from PubChem (CID 171517933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).