5-methoxy-2-methyl-4-propan-2-yl-1,3-oxazole

C8H13NO2 — CID 23271408

IUPAC5-methoxy-2-methyl-4-propan-2-yl-1,3-oxazole
SMILESCOc1oc(C)nc1C(C)C
InChIInChI=1S/C8H13NO2/c1-5(2)7-8(10-4)11-6(3)9-7/h5H,1-4H3
InChIKeyJRFKYFAHCLHZDO-UHFFFAOYSA-N
MW155.20 g/mol
LogP2.12
Rot. Bonds2

About 5-methoxy-2-methyl-4-propan-2-yl-1,3-oxazole

5-methoxy-2-methyl-4-propan-2-yl-1,3-oxazole (PubChem CID 23271408) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is 5-methoxy-2-methyl-4-propan-2-yl-1,3-oxazole.

Molecular Properties

Compound Name5-methoxy-2-methyl-4-propan-2-yl-1,3-oxazole
PubChem CID23271408
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name5-methoxy-2-methyl-4-propan-2-yl-1,3-oxazole
SMILESCOc1oc(C)nc1C(C)C
InChIInChI=1S/C8H13NO2/c1-5(2)7-8(10-4)11-6(3)9-7/h5H,1-4H3
InChIKeyJRFKYFAHCLHZDO-UHFFFAOYSA-N
XLogP2.12
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-methyl-4-propan-2-yl-1,3-oxazole?
The IUPAC name of 5-methoxy-2-methyl-4-propan-2-yl-1,3-oxazole (CID 23271408) is 5-methoxy-2-methyl-4-propan-2-yl-1,3-oxazole.
What is the SMILES notation for 5-methoxy-2-methyl-4-propan-2-yl-1,3-oxazole?
The canonical SMILES for 5-methoxy-2-methyl-4-propan-2-yl-1,3-oxazole is COc1oc(C)nc1C(C)C.
What is the InChIKey of 5-methoxy-2-methyl-4-propan-2-yl-1,3-oxazole?
The InChIKey is JRFKYFAHCLHZDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-5(2)7-8(10-4)11-6(3)9-7/h5H,1-4H3.
What are the key properties of 5-methoxy-2-methyl-4-propan-2-yl-1,3-oxazole?
5-methoxy-2-methyl-4-propan-2-yl-1,3-oxazole has a molecular weight of 155.20 g/mol, XLogP of 2.12, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-methyl-4-propan-2-yl-1,3-oxazole is sourced from PubChem (CID 23271408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).