3-tert-butyl-4,5-dimethyl-4H-1,2-oxazol-5-ol

C9H17NO2 — CID 67885250

IUPAC3-tert-butyl-4,5-dimethyl-4H-1,2-oxazol-5-ol
SMILESCC1C(C(C)(C)C)=NOC1(C)O
InChIInChI=1S/C9H17NO2/c1-6-7(8(2,3)4)10-12-9(6,5)11/h6,11H,1-5H3
InChIKeyVGZGRUUYQGAZHA-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.76
Rot. Bonds

About 3-tert-butyl-4,5-dimethyl-4H-1,2-oxazol-5-ol

3-tert-butyl-4,5-dimethyl-4H-1,2-oxazol-5-ol (PubChem CID 67885250) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 3-tert-butyl-4,5-dimethyl-4H-1,2-oxazol-5-ol.

Molecular Properties

Compound Name3-tert-butyl-4,5-dimethyl-4H-1,2-oxazol-5-ol
PubChem CID67885250
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name3-tert-butyl-4,5-dimethyl-4H-1,2-oxazol-5-ol
SMILESCC1C(C(C)(C)C)=NOC1(C)O
InChIInChI=1S/C9H17NO2/c1-6-7(8(2,3)4)10-12-9(6,5)11/h6,11H,1-5H3
InChIKeyVGZGRUUYQGAZHA-UHFFFAOYSA-N
XLogP1.76
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-4,5-dimethyl-4H-1,2-oxazol-5-ol?
The IUPAC name of 3-tert-butyl-4,5-dimethyl-4H-1,2-oxazol-5-ol (CID 67885250) is 3-tert-butyl-4,5-dimethyl-4H-1,2-oxazol-5-ol.
What is the SMILES notation for 3-tert-butyl-4,5-dimethyl-4H-1,2-oxazol-5-ol?
The canonical SMILES for 3-tert-butyl-4,5-dimethyl-4H-1,2-oxazol-5-ol is CC1C(C(C)(C)C)=NOC1(C)O.
What is the InChIKey of 3-tert-butyl-4,5-dimethyl-4H-1,2-oxazol-5-ol?
The InChIKey is VGZGRUUYQGAZHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-6-7(8(2,3)4)10-12-9(6,5)11/h6,11H,1-5H3.
What are the key properties of 3-tert-butyl-4,5-dimethyl-4H-1,2-oxazol-5-ol?
3-tert-butyl-4,5-dimethyl-4H-1,2-oxazol-5-ol has a molecular weight of 171.24 g/mol, XLogP of 1.76, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-4,5-dimethyl-4H-1,2-oxazol-5-ol is sourced from PubChem (CID 67885250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).