5-(2,2-dimethylpropyl)-3,5-dimethyl-4H-1,2-oxazole

C10H19NO — CID 146290036

IUPAC5-(2,2-dimethylpropyl)-3,5-dimethyl-4H-1,2-oxazole
SMILESCC1=NOC(C)(CC(C)(C)C)C1
InChIInChI=1S/C10H19NO/c1-8-6-10(5,12-11-8)7-9(2,3)4/h6-7H2,1-5H3
InChIKeySAKLJBXVZCNUIE-UHFFFAOYSA-N
MW169.27 g/mol
LogP2.98
Rot. Bonds1

About 5-(2,2-dimethylpropyl)-3,5-dimethyl-4H-1,2-oxazole

5-(2,2-dimethylpropyl)-3,5-dimethyl-4H-1,2-oxazole (PubChem CID 146290036) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 5-(2,2-dimethylpropyl)-3,5-dimethyl-4H-1,2-oxazole.

Molecular Properties

Compound Name5-(2,2-dimethylpropyl)-3,5-dimethyl-4H-1,2-oxazole
PubChem CID146290036
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name5-(2,2-dimethylpropyl)-3,5-dimethyl-4H-1,2-oxazole
SMILESCC1=NOC(C)(CC(C)(C)C)C1
InChIInChI=1S/C10H19NO/c1-8-6-10(5,12-11-8)7-9(2,3)4/h6-7H2,1-5H3
InChIKeySAKLJBXVZCNUIE-UHFFFAOYSA-N
XLogP2.98
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-(2,2-dimethylpropyl)-3,5-dimethyl-4H-1,2-oxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,5-Ditert-butyl-4-methyl-4,5-dihydro-1,2-oxazole
CID 13083639
3-Tert-butyl-1-oxa-2-azaspiro[4.5]dec-2-ene
CID 13296101
3,4,4-Trimethyl-1-oxa-2-azaspiro[4.4]non-2-ene
CID 13694196
3,4,4,5,5-Pentamethyl-1,2-oxazole
CID 18710353
3,5-Ditert-butyl-4,5-dihydro-1,2-oxazole
CID 18738408
5-methyl-3,5-di(propan-2-yl)-4H-1,2-oxazole
CID 20718859
3-tert-butyl-5,5-dimethyl-4H-1,2-oxazole
CID 21336451
3,4,4-Trimethyl-1-oxa-2-azaspiro[4.5]dec-2-ene
CID 58134966
4,4,5,5-Tetramethyl-3-(2-methylpropyl)-1,2-oxazole;tungsten
CID 58361828
3-methyl-5,5-di(propan-2-yl)-4H-1,2-oxazole
CID 58536801
3,5-ditert-butyl-5-propan-2-yl-4H-1,2-oxazole
CID 58735354
3,5-ditert-butyl-5-methyl-4H-1,2-oxazole
CID 58735361

Frequently Asked Questions

What is the IUPAC name of 5-(2,2-dimethylpropyl)-3,5-dimethyl-4H-1,2-oxazole?
The IUPAC name of 5-(2,2-dimethylpropyl)-3,5-dimethyl-4H-1,2-oxazole (CID 146290036) is 5-(2,2-dimethylpropyl)-3,5-dimethyl-4H-1,2-oxazole.
What is the SMILES notation for 5-(2,2-dimethylpropyl)-3,5-dimethyl-4H-1,2-oxazole?
The canonical SMILES for 5-(2,2-dimethylpropyl)-3,5-dimethyl-4H-1,2-oxazole is CC1=NOC(C)(CC(C)(C)C)C1.
What is the InChIKey of 5-(2,2-dimethylpropyl)-3,5-dimethyl-4H-1,2-oxazole?
The InChIKey is SAKLJBXVZCNUIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-8-6-10(5,12-11-8)7-9(2,3)4/h6-7H2,1-5H3.
What are the key properties of 5-(2,2-dimethylpropyl)-3,5-dimethyl-4H-1,2-oxazole?
5-(2,2-dimethylpropyl)-3,5-dimethyl-4H-1,2-oxazole has a molecular weight of 169.27 g/mol, XLogP of 2.98, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dimethylpropyl)-3,5-dimethyl-4H-1,2-oxazole is sourced from PubChem (CID 146290036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).