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

C6H11NO2 — CID 102278697

IUPAC(5,5-dimethyl-4H-1,2-oxazol-3-yl)methanol
SMILESCC1(C)CC(CO)=NO1
InChIInChI=1S/C6H11NO2/c1-6(2)3-5(4-8)7-9-6/h8H,3-4H2,1-2H3
InChIKeyROFSJMGFGWMMGQ-UHFFFAOYSA-N
MW129.16 g/mol
LogP0.53
Rot. Bonds1

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

(5,5-dimethyl-4H-1,2-oxazol-3-yl)methanol (PubChem CID 102278697) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is (5,5-dimethyl-4H-1,2-oxazol-3-yl)methanol.

Molecular Properties

Compound Name(5,5-dimethyl-4H-1,2-oxazol-3-yl)methanol
PubChem CID102278697
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Name(5,5-dimethyl-4H-1,2-oxazol-3-yl)methanol
SMILESCC1(C)CC(CO)=NO1
InChIInChI=1S/C6H11NO2/c1-6(2)3-5(4-8)7-9-6/h8H,3-4H2,1-2H3
InChIKeyROFSJMGFGWMMGQ-UHFFFAOYSA-N
XLogP0.53
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 ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-Methyl-4,5-dihydro-1,2-oxazol-3-yl)methanol
CID 23397001
(5-Methyl-5-(trifluoromethyl)-4,5-dihydroisoxazol-3-yl)methanol
CID 90303125
[(5R)-3-ethyl-5-methyl-4H-1,2-oxazol-5-yl]methanol
CID 122400074
(3,5-dimethyl-4H-1,2-oxazol-5-yl)methanol
CID 22121131
(4E)-4-methoxyimino-2-methylpentan-2-ol
CID 57576724
CID 58544115
CID 58544115
CID 58544226
CID 58544226
4-Methoxyimino-2-methylpentan-2-ol
CID 76609487
[5-(hydroxymethyl)-3-methyl-4H-1,2-oxazol-5-yl]methanol
CID 89224822
2-(4,5-Dihydro-1,2-oxazol-3-yl)propan-2-ol
CID 118528273
3-(methoxymethyl)-5,5-dimethyl-4H-1,2-oxazole
CID 123899620
3-(2-Methoxypropan-2-yl)-4,5-dihydro-1,2-oxazole
CID 123949702

Frequently Asked Questions

What is the IUPAC name of (5,5-dimethyl-4H-1,2-oxazol-3-yl)methanol?
The IUPAC name of (5,5-dimethyl-4H-1,2-oxazol-3-yl)methanol (CID 102278697) is (5,5-dimethyl-4H-1,2-oxazol-3-yl)methanol.
What is the SMILES notation for (5,5-dimethyl-4H-1,2-oxazol-3-yl)methanol?
The canonical SMILES for (5,5-dimethyl-4H-1,2-oxazol-3-yl)methanol is CC1(C)CC(CO)=NO1.
What is the InChIKey of (5,5-dimethyl-4H-1,2-oxazol-3-yl)methanol?
The InChIKey is ROFSJMGFGWMMGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2/c1-6(2)3-5(4-8)7-9-6/h8H,3-4H2,1-2H3.
What are the key properties of (5,5-dimethyl-4H-1,2-oxazol-3-yl)methanol?
(5,5-dimethyl-4H-1,2-oxazol-3-yl)methanol has a molecular weight of 129.16 g/mol, XLogP of 0.53, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5,5-dimethyl-4H-1,2-oxazol-3-yl)methanol is sourced from PubChem (CID 102278697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).