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

C6H9NO2 — CID 54506708

IUPAC(4,5-dimethyl-1,3-oxazol-2-yl)methanol
SMILESCc1nc(CO)oc1C
InChIInChI=1S/C6H9NO2/c1-4-5(2)9-6(3-8)7-4/h8H,3H2,1-2H3
InChIKeyLUWGQGKWKMWQLD-UHFFFAOYSA-N
MW127.14 g/mol
LogP0.78
Rot. Bonds1

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

(4,5-dimethyl-1,3-oxazol-2-yl)methanol (PubChem CID 54506708) has the molecular formula C6H9NO2 and a molecular weight of 127.14 g/mol. Its IUPAC name is (4,5-dimethyl-1,3-oxazol-2-yl)methanol.

Molecular Properties

Compound Name(4,5-dimethyl-1,3-oxazol-2-yl)methanol
PubChem CID54506708
Molecular FormulaC6H9NO2
Molecular Weight127.14 g/mol
Exact Mass127.06
IUPAC Name(4,5-dimethyl-1,3-oxazol-2-yl)methanol
SMILESCc1nc(CO)oc1C
InChIInChI=1S/C6H9NO2/c1-4-5(2)9-6(3-8)7-4/h8H,3H2,1-2H3
InChIKeyLUWGQGKWKMWQLD-UHFFFAOYSA-N
XLogP0.78
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.14
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4,5-dimethyl-1,3-oxazol-2-yl)methanol?
The IUPAC name of (4,5-dimethyl-1,3-oxazol-2-yl)methanol (CID 54506708) is (4,5-dimethyl-1,3-oxazol-2-yl)methanol.
What is the SMILES notation for (4,5-dimethyl-1,3-oxazol-2-yl)methanol?
The canonical SMILES for (4,5-dimethyl-1,3-oxazol-2-yl)methanol is Cc1nc(CO)oc1C.
What is the InChIKey of (4,5-dimethyl-1,3-oxazol-2-yl)methanol?
The InChIKey is LUWGQGKWKMWQLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO2/c1-4-5(2)9-6(3-8)7-4/h8H,3H2,1-2H3.
What are the key properties of (4,5-dimethyl-1,3-oxazol-2-yl)methanol?
(4,5-dimethyl-1,3-oxazol-2-yl)methanol has a molecular weight of 127.14 g/mol, XLogP of 0.78, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-dimethyl-1,3-oxazol-2-yl)methanol is sourced from PubChem (CID 54506708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).