5,5-dimethyl-3,4-di(propan-2-yl)-4H-1,2-oxazole

C11H21NO — CID 20577412

IUPAC5,5-dimethyl-3,4-di(propan-2-yl)-4H-1,2-oxazole
SMILESCC(C)C1=NOC(C)(C)C1C(C)C
InChIInChI=1S/C11H21NO/c1-7(2)9-10(8(3)4)12-13-11(9,5)6/h7-9H,1-6H3
InChIKeySUPSGNSVQPGUNJ-UHFFFAOYSA-N
MW183.29 g/mol
LogP3.08
Rot. Bonds2

About 5,5-dimethyl-3,4-di(propan-2-yl)-4H-1,2-oxazole

5,5-dimethyl-3,4-di(propan-2-yl)-4H-1,2-oxazole (PubChem CID 20577412) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 5,5-dimethyl-3,4-di(propan-2-yl)-4H-1,2-oxazole.

Molecular Properties

Compound Name5,5-dimethyl-3,4-di(propan-2-yl)-4H-1,2-oxazole
PubChem CID20577412
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name5,5-dimethyl-3,4-di(propan-2-yl)-4H-1,2-oxazole
SMILESCC(C)C1=NOC(C)(C)C1C(C)C
InChIInChI=1S/C11H21NO/c1-7(2)9-10(8(3)4)12-13-11(9,5)6/h7-9H,1-6H3
InChIKeySUPSGNSVQPGUNJ-UHFFFAOYSA-N
XLogP3.08
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-3,4-di(propan-2-yl)-4H-1,2-oxazole?
The IUPAC name of 5,5-dimethyl-3,4-di(propan-2-yl)-4H-1,2-oxazole (CID 20577412) is 5,5-dimethyl-3,4-di(propan-2-yl)-4H-1,2-oxazole.
What is the SMILES notation for 5,5-dimethyl-3,4-di(propan-2-yl)-4H-1,2-oxazole?
The canonical SMILES for 5,5-dimethyl-3,4-di(propan-2-yl)-4H-1,2-oxazole is CC(C)C1=NOC(C)(C)C1C(C)C.
What is the InChIKey of 5,5-dimethyl-3,4-di(propan-2-yl)-4H-1,2-oxazole?
The InChIKey is SUPSGNSVQPGUNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-7(2)9-10(8(3)4)12-13-11(9,5)6/h7-9H,1-6H3.
What are the key properties of 5,5-dimethyl-3,4-di(propan-2-yl)-4H-1,2-oxazole?
5,5-dimethyl-3,4-di(propan-2-yl)-4H-1,2-oxazole has a molecular weight of 183.29 g/mol, XLogP of 3.08, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-3,4-di(propan-2-yl)-4H-1,2-oxazole is sourced from PubChem (CID 20577412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).