2-(2,2-dimethylpropyl)-4-methyl-1,3-oxazole

C9H15NO — CID 89177733

IUPAC2-(2,2-dimethylpropyl)-4-methyl-1,3-oxazole
SMILESCc1coc(CC(C)(C)C)n1
InChIInChI=1S/C9H15NO/c1-7-6-11-8(10-7)5-9(2,3)4/h6H,5H2,1-4H3
InChIKeyPFSOVPSCEAKFTP-UHFFFAOYSA-N
MW153.22 g/mol
LogP2.57
Rot. Bonds1

About 2-(2,2-dimethylpropyl)-4-methyl-1,3-oxazole

2-(2,2-dimethylpropyl)-4-methyl-1,3-oxazole (PubChem CID 89177733) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 2-(2,2-dimethylpropyl)-4-methyl-1,3-oxazole.

Molecular Properties

Compound Name2-(2,2-dimethylpropyl)-4-methyl-1,3-oxazole
PubChem CID89177733
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name2-(2,2-dimethylpropyl)-4-methyl-1,3-oxazole
SMILESCc1coc(CC(C)(C)C)n1
InChIInChI=1S/C9H15NO/c1-7-6-11-8(10-7)5-9(2,3)4/h6H,5H2,1-4H3
InChIKeyPFSOVPSCEAKFTP-UHFFFAOYSA-N
XLogP2.57
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpropyl)-4-methyl-1,3-oxazole?
The IUPAC name of 2-(2,2-dimethylpropyl)-4-methyl-1,3-oxazole (CID 89177733) is 2-(2,2-dimethylpropyl)-4-methyl-1,3-oxazole.
What is the SMILES notation for 2-(2,2-dimethylpropyl)-4-methyl-1,3-oxazole?
The canonical SMILES for 2-(2,2-dimethylpropyl)-4-methyl-1,3-oxazole is Cc1coc(CC(C)(C)C)n1.
What is the InChIKey of 2-(2,2-dimethylpropyl)-4-methyl-1,3-oxazole?
The InChIKey is PFSOVPSCEAKFTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-7-6-11-8(10-7)5-9(2,3)4/h6H,5H2,1-4H3.
What are the key properties of 2-(2,2-dimethylpropyl)-4-methyl-1,3-oxazole?
2-(2,2-dimethylpropyl)-4-methyl-1,3-oxazole has a molecular weight of 153.22 g/mol, XLogP of 2.57, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpropyl)-4-methyl-1,3-oxazole is sourced from PubChem (CID 89177733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).