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

C6H11NO2 — CID 13144007

IUPAC(4,4-dimethyl-5H-1,3-oxazol-2-yl)methanol
SMILESCC1(C)COC(CO)=N1
InChIInChI=1S/C6H11NO2/c1-6(2)4-9-5(3-8)7-6/h8H,3-4H2,1-2H3
InChIKeyUFVDTPKVXDBOGV-UHFFFAOYSA-N
MW129.16 g/mol
LogP0.19
Rot. Bonds1

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

(4,4-dimethyl-5H-1,3-oxazol-2-yl)methanol (PubChem CID 13144007) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is (4,4-dimethyl-5H-1,3-oxazol-2-yl)methanol.

Molecular Properties

Compound Name(4,4-dimethyl-5H-1,3-oxazol-2-yl)methanol
PubChem CID13144007
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Name(4,4-dimethyl-5H-1,3-oxazol-2-yl)methanol
SMILESCC1(C)COC(CO)=N1
InChIInChI=1S/C6H11NO2/c1-6(2)4-9-5(3-8)7-6/h8H,3-4H2,1-2H3
InChIKeyUFVDTPKVXDBOGV-UHFFFAOYSA-N
XLogP0.19
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4,4-dimethyl-5H-1,3-oxazol-2-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 (4,4-dimethyl-5H-1,3-oxazol-2-yl)methanol?
The IUPAC name of (4,4-dimethyl-5H-1,3-oxazol-2-yl)methanol (CID 13144007) is (4,4-dimethyl-5H-1,3-oxazol-2-yl)methanol.
What is the SMILES notation for (4,4-dimethyl-5H-1,3-oxazol-2-yl)methanol?
The canonical SMILES for (4,4-dimethyl-5H-1,3-oxazol-2-yl)methanol is CC1(C)COC(CO)=N1.
What is the InChIKey of (4,4-dimethyl-5H-1,3-oxazol-2-yl)methanol?
The InChIKey is UFVDTPKVXDBOGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2/c1-6(2)4-9-5(3-8)7-6/h8H,3-4H2,1-2H3.
What are the key properties of (4,4-dimethyl-5H-1,3-oxazol-2-yl)methanol?
(4,4-dimethyl-5H-1,3-oxazol-2-yl)methanol has a molecular weight of 129.16 g/mol, XLogP of 0.19, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-dimethyl-5H-1,3-oxazol-2-yl)methanol is sourced from PubChem (CID 13144007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).