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

C9H15NO — CID 23402778

IUPAC4,5-di(propan-2-yl)-1,3-oxazole
SMILESCC(C)c1ncoc1C(C)C
InChIInChI=1S/C9H15NO/c1-6(2)8-9(7(3)4)11-5-10-8/h5-7H,1-4H3
InChIKeyBTTKNSMEFBZWHI-UHFFFAOYSA-N
MW153.22 g/mol
LogP2.92
Rot. Bonds2

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

4,5-di(propan-2-yl)-1,3-oxazole (PubChem CID 23402778) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 4,5-di(propan-2-yl)-1,3-oxazole.

Molecular Properties

Compound Name4,5-di(propan-2-yl)-1,3-oxazole
PubChem CID23402778
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name4,5-di(propan-2-yl)-1,3-oxazole
SMILESCC(C)c1ncoc1C(C)C
InChIInChI=1S/C9H15NO/c1-6(2)8-9(7(3)4)11-5-10-8/h5-7H,1-4H3
InChIKeyBTTKNSMEFBZWHI-UHFFFAOYSA-N
XLogP2.92
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,5-di(propan-2-yl)-1,3-oxazole?
The IUPAC name of 4,5-di(propan-2-yl)-1,3-oxazole (CID 23402778) is 4,5-di(propan-2-yl)-1,3-oxazole.
What is the SMILES notation for 4,5-di(propan-2-yl)-1,3-oxazole?
The canonical SMILES for 4,5-di(propan-2-yl)-1,3-oxazole is CC(C)c1ncoc1C(C)C.
What is the InChIKey of 4,5-di(propan-2-yl)-1,3-oxazole?
The InChIKey is BTTKNSMEFBZWHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-6(2)8-9(7(3)4)11-5-10-8/h5-7H,1-4H3.
What are the key properties of 4,5-di(propan-2-yl)-1,3-oxazole?
4,5-di(propan-2-yl)-1,3-oxazole has a molecular weight of 153.22 g/mol, XLogP of 2.92, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-di(propan-2-yl)-1,3-oxazole is sourced from PubChem (CID 23402778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).