(3,5-ditert-butyl-4H-1,2-oxazol-5-yl)methanol

C12H23NO2 — CID 58735358

IUPAC(3,5-ditert-butyl-4H-1,2-oxazol-5-yl)methanol
SMILESCC(C)(C)C1=NOC(CO)(C(C)(C)C)C1
InChIInChI=1S/C12H23NO2/c1-10(2,3)9-7-12(8-14,15-13-9)11(4,5)6/h14H,7-8H2,1-6H3
InChIKeyHJTUFIWCSFXQCS-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.59
Rot. Bonds1

About (3,5-ditert-butyl-4H-1,2-oxazol-5-yl)methanol

(3,5-ditert-butyl-4H-1,2-oxazol-5-yl)methanol (PubChem CID 58735358) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is (3,5-ditert-butyl-4H-1,2-oxazol-5-yl)methanol.

Molecular Properties

Compound Name(3,5-ditert-butyl-4H-1,2-oxazol-5-yl)methanol
PubChem CID58735358
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name(3,5-ditert-butyl-4H-1,2-oxazol-5-yl)methanol
SMILESCC(C)(C)C1=NOC(CO)(C(C)(C)C)C1
InChIInChI=1S/C12H23NO2/c1-10(2,3)9-7-12(8-14,15-13-9)11(4,5)6/h14H,7-8H2,1-6H3
InChIKeyHJTUFIWCSFXQCS-UHFFFAOYSA-N
XLogP2.59
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3,5-ditert-butyl-4H-1,2-oxazol-5-yl)methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3,5-ditert-butyl-4H-1,2-oxazol-5-yl)methanol?
The IUPAC name of (3,5-ditert-butyl-4H-1,2-oxazol-5-yl)methanol (CID 58735358) is (3,5-ditert-butyl-4H-1,2-oxazol-5-yl)methanol.
What is the SMILES notation for (3,5-ditert-butyl-4H-1,2-oxazol-5-yl)methanol?
The canonical SMILES for (3,5-ditert-butyl-4H-1,2-oxazol-5-yl)methanol is CC(C)(C)C1=NOC(CO)(C(C)(C)C)C1.
What is the InChIKey of (3,5-ditert-butyl-4H-1,2-oxazol-5-yl)methanol?
The InChIKey is HJTUFIWCSFXQCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-10(2,3)9-7-12(8-14,15-13-9)11(4,5)6/h14H,7-8H2,1-6H3.
What are the key properties of (3,5-ditert-butyl-4H-1,2-oxazol-5-yl)methanol?
(3,5-ditert-butyl-4H-1,2-oxazol-5-yl)methanol has a molecular weight of 213.32 g/mol, XLogP of 2.59, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-ditert-butyl-4H-1,2-oxazol-5-yl)methanol is sourced from PubChem (CID 58735358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).