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

C10H19NO — CID 58536801

IUPAC3-methyl-5,5-di(propan-2-yl)-4H-1,2-oxazole
SMILESCC1=NOC(C(C)C)(C(C)C)C1
InChIInChI=1S/C10H19NO/c1-7(2)10(8(3)4)6-9(5)11-12-10/h7-8H,6H2,1-5H3
InChIKeySXQSSHNXODVFMY-UHFFFAOYSA-N
MW169.27 g/mol
LogP2.83
Rot. Bonds2

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

3-methyl-5,5-di(propan-2-yl)-4H-1,2-oxazole (PubChem CID 58536801) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 3-methyl-5,5-di(propan-2-yl)-4H-1,2-oxazole.

Molecular Properties

Compound Name3-methyl-5,5-di(propan-2-yl)-4H-1,2-oxazole
PubChem CID58536801
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name3-methyl-5,5-di(propan-2-yl)-4H-1,2-oxazole
SMILESCC1=NOC(C(C)C)(C(C)C)C1
InChIInChI=1S/C10H19NO/c1-7(2)10(8(3)4)6-9(5)11-12-10/h7-8H,6H2,1-5H3
InChIKeySXQSSHNXODVFMY-UHFFFAOYSA-N
XLogP2.83
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5,5-di(propan-2-yl)-4H-1,2-oxazole?
The IUPAC name of 3-methyl-5,5-di(propan-2-yl)-4H-1,2-oxazole (CID 58536801) is 3-methyl-5,5-di(propan-2-yl)-4H-1,2-oxazole.
What is the SMILES notation for 3-methyl-5,5-di(propan-2-yl)-4H-1,2-oxazole?
The canonical SMILES for 3-methyl-5,5-di(propan-2-yl)-4H-1,2-oxazole is CC1=NOC(C(C)C)(C(C)C)C1.
What is the InChIKey of 3-methyl-5,5-di(propan-2-yl)-4H-1,2-oxazole?
The InChIKey is SXQSSHNXODVFMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-7(2)10(8(3)4)6-9(5)11-12-10/h7-8H,6H2,1-5H3.
What are the key properties of 3-methyl-5,5-di(propan-2-yl)-4H-1,2-oxazole?
3-methyl-5,5-di(propan-2-yl)-4H-1,2-oxazole has a molecular weight of 169.27 g/mol, XLogP of 2.83, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5,5-di(propan-2-yl)-4H-1,2-oxazole is sourced from PubChem (CID 58536801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).