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

C6H11NO2 — CID 22121131

IUPAC(3,5-dimethyl-4H-1,2-oxazol-5-yl)methanol
SMILESCC1=NOC(C)(CO)C1
InChIInChI=1S/C6H11NO2/c1-5-3-6(2,4-8)9-7-5/h8H,3-4H2,1-2H3
InChIKeyDGQXHGAWPPLHCX-UHFFFAOYSA-N
MW129.16 g/mol
LogP0.53
Rot. Bonds1

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

(3,5-dimethyl-4H-1,2-oxazol-5-yl)methanol (PubChem CID 22121131) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is (3,5-dimethyl-4H-1,2-oxazol-5-yl)methanol.

Molecular Properties

Compound Name(3,5-dimethyl-4H-1,2-oxazol-5-yl)methanol
PubChem CID22121131
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Name(3,5-dimethyl-4H-1,2-oxazol-5-yl)methanol
SMILESCC1=NOC(C)(CO)C1
InChIInChI=1S/C6H11NO2/c1-5-3-6(2,4-8)9-7-5/h8H,3-4H2,1-2H3
InChIKeyDGQXHGAWPPLHCX-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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Frequently Asked Questions

What is the IUPAC name of (3,5-dimethyl-4H-1,2-oxazol-5-yl)methanol?
The IUPAC name of (3,5-dimethyl-4H-1,2-oxazol-5-yl)methanol (CID 22121131) is (3,5-dimethyl-4H-1,2-oxazol-5-yl)methanol.
What is the SMILES notation for (3,5-dimethyl-4H-1,2-oxazol-5-yl)methanol?
The canonical SMILES for (3,5-dimethyl-4H-1,2-oxazol-5-yl)methanol is CC1=NOC(C)(CO)C1.
What is the InChIKey of (3,5-dimethyl-4H-1,2-oxazol-5-yl)methanol?
The InChIKey is DGQXHGAWPPLHCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2/c1-5-3-6(2,4-8)9-7-5/h8H,3-4H2,1-2H3.
What are the key properties of (3,5-dimethyl-4H-1,2-oxazol-5-yl)methanol?
(3,5-dimethyl-4H-1,2-oxazol-5-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 (3,5-dimethyl-4H-1,2-oxazol-5-yl)methanol is sourced from PubChem (CID 22121131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).