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

C9H17NO — CID 141015384

IUPAC5,5-di(propan-2-yl)-4H-1,3-oxazole
SMILESCC(C)C1(C(C)C)CN=CO1
InChIInChI=1S/C9H17NO/c1-7(2)9(8(3)4)5-10-6-11-9/h6-8H,5H2,1-4H3
InChIKeyRXUDZAKEDKXXIF-UHFFFAOYSA-N
MW155.24 g/mol
LogP2.10
Rot. Bonds2

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

5,5-di(propan-2-yl)-4H-1,3-oxazole (PubChem CID 141015384) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 5,5-di(propan-2-yl)-4H-1,3-oxazole.

Molecular Properties

Compound Name5,5-di(propan-2-yl)-4H-1,3-oxazole
PubChem CID141015384
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name5,5-di(propan-2-yl)-4H-1,3-oxazole
SMILESCC(C)C1(C(C)C)CN=CO1
InChIInChI=1S/C9H17NO/c1-7(2)9(8(3)4)5-10-6-11-9/h6-8H,5H2,1-4H3
InChIKeyRXUDZAKEDKXXIF-UHFFFAOYSA-N
XLogP2.10
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,5-di(propan-2-yl)-4H-1,3-oxazole?
The IUPAC name of 5,5-di(propan-2-yl)-4H-1,3-oxazole (CID 141015384) is 5,5-di(propan-2-yl)-4H-1,3-oxazole.
What is the SMILES notation for 5,5-di(propan-2-yl)-4H-1,3-oxazole?
The canonical SMILES for 5,5-di(propan-2-yl)-4H-1,3-oxazole is CC(C)C1(C(C)C)CN=CO1.
What is the InChIKey of 5,5-di(propan-2-yl)-4H-1,3-oxazole?
The InChIKey is RXUDZAKEDKXXIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-7(2)9(8(3)4)5-10-6-11-9/h6-8H,5H2,1-4H3.
What are the key properties of 5,5-di(propan-2-yl)-4H-1,3-oxazole?
5,5-di(propan-2-yl)-4H-1,3-oxazole has a molecular weight of 155.24 g/mol, XLogP of 2.10, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-di(propan-2-yl)-4H-1,3-oxazole is sourced from PubChem (CID 141015384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).