4-(2-methyloctan-2-yl)-1,3-oxazole

C12H21NO — CID 166896214

IUPAC4-(2-methyloctan-2-yl)-1,3-oxazole
SMILESCCCCCCC(C)(C)c1cocn1
InChIInChI=1S/C12H21NO/c1-4-5-6-7-8-12(2,3)11-9-14-10-13-11/h9-10H,4-8H2,1-3H3
InChIKeyAUFHVAYVUKUKAW-UHFFFAOYSA-N
MW195.31 g/mol
LogP3.92
Rot. Bonds6

About 4-(2-methyloctan-2-yl)-1,3-oxazole

4-(2-methyloctan-2-yl)-1,3-oxazole (PubChem CID 166896214) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 4-(2-methyloctan-2-yl)-1,3-oxazole.

Molecular Properties

Compound Name4-(2-methyloctan-2-yl)-1,3-oxazole
PubChem CID166896214
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name4-(2-methyloctan-2-yl)-1,3-oxazole
SMILESCCCCCCC(C)(C)c1cocn1
InChIInChI=1S/C12H21NO/c1-4-5-6-7-8-12(2,3)11-9-14-10-13-11/h9-10H,4-8H2,1-3H3
InChIKeyAUFHVAYVUKUKAW-UHFFFAOYSA-N
XLogP3.92
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(3-ethylheptadecan-3-yl)-1,3-oxazole
CID 170549623
4-pentyl-1,3-oxazole
CID 19420718
4-(2-methylheptan-2-yl)-1,3-thiazole
CID 146654398
1-butan-2-yl-4-(2-methylheptan-2-yl)imidazole
CID 174630558
6-(2-methyloctan-2-yl)pyridine-3-carbonitrile
CID 139320145
1-methyl-4-(2-methylhexan-2-yl)imidazole
CID 129152164
5-(2-methyloctan-2-yl)-1H-imidazole
CID 137457027
5-methoxy-2-(2-methyloctan-2-yl)pyrimidine
CID 126596037
2-ethenyl-4-(2-methylnonan-2-yl)-1,3-thiazole
CID 129132669
hexoxy(1,3-oxazol-4-yl)tin
CID 174400449
2-ethenyl-5-(2-methylheptan-2-yl)-1,3-oxazole
CID 167202889
4-(2-methyloctan-2-yl)-1H-pyrazole
CID 155027253

Frequently Asked Questions

What is the IUPAC name of 4-(2-methyloctan-2-yl)-1,3-oxazole?
The IUPAC name of 4-(2-methyloctan-2-yl)-1,3-oxazole (CID 166896214) is 4-(2-methyloctan-2-yl)-1,3-oxazole.
What is the SMILES notation for 4-(2-methyloctan-2-yl)-1,3-oxazole?
The canonical SMILES for 4-(2-methyloctan-2-yl)-1,3-oxazole is CCCCCCC(C)(C)c1cocn1.
What is the InChIKey of 4-(2-methyloctan-2-yl)-1,3-oxazole?
The InChIKey is AUFHVAYVUKUKAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-4-5-6-7-8-12(2,3)11-9-14-10-13-11/h9-10H,4-8H2,1-3H3.
What are the key properties of 4-(2-methyloctan-2-yl)-1,3-oxazole?
4-(2-methyloctan-2-yl)-1,3-oxazole has a molecular weight of 195.31 g/mol, XLogP of 3.92, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyloctan-2-yl)-1,3-oxazole is sourced from PubChem (CID 166896214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).