5-methoxy-2,4-dimethyl-1,3-oxazole

C6H9NO2 — CID 11815363

IUPAC5-methoxy-2,4-dimethyl-1,3-oxazole
SMILESCOc1oc(C)nc1C
InChIInChI=1S/C6H9NO2/c1-4-6(8-3)9-5(2)7-4/h1-3H3
InChIKeyPJOTVKLKMPAYFD-UHFFFAOYSA-N
MW127.14 g/mol
LogP1.30
Rot. Bonds1

About 5-methoxy-2,4-dimethyl-1,3-oxazole

5-methoxy-2,4-dimethyl-1,3-oxazole (PubChem CID 11815363) has the molecular formula C6H9NO2 and a molecular weight of 127.14 g/mol. Its IUPAC name is 5-methoxy-2,4-dimethyl-1,3-oxazole.

Molecular Properties

Compound Name5-methoxy-2,4-dimethyl-1,3-oxazole
PubChem CID11815363
Molecular FormulaC6H9NO2
Molecular Weight127.14 g/mol
Exact Mass127.06
IUPAC Name5-methoxy-2,4-dimethyl-1,3-oxazole
SMILESCOc1oc(C)nc1C
InChIInChI=1S/C6H9NO2/c1-4-6(8-3)9-5(2)7-4/h1-3H3
InChIKeyPJOTVKLKMPAYFD-UHFFFAOYSA-N
XLogP1.30
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.14
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2,4-dimethyl-1,3-oxazole?
The IUPAC name of 5-methoxy-2,4-dimethyl-1,3-oxazole (CID 11815363) is 5-methoxy-2,4-dimethyl-1,3-oxazole.
What is the SMILES notation for 5-methoxy-2,4-dimethyl-1,3-oxazole?
The canonical SMILES for 5-methoxy-2,4-dimethyl-1,3-oxazole is COc1oc(C)nc1C.
What is the InChIKey of 5-methoxy-2,4-dimethyl-1,3-oxazole?
The InChIKey is PJOTVKLKMPAYFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO2/c1-4-6(8-3)9-5(2)7-4/h1-3H3.
What are the key properties of 5-methoxy-2,4-dimethyl-1,3-oxazole?
5-methoxy-2,4-dimethyl-1,3-oxazole has a molecular weight of 127.14 g/mol, XLogP of 1.30, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2,4-dimethyl-1,3-oxazole is sourced from PubChem (CID 11815363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).