3-ethoxy-2-propan-2-yl-2H-1,3-oxazole

C8H15NO2 — CID 174941697

IUPAC3-ethoxy-2-propan-2-yl-2H-1,3-oxazole
SMILESCCON1C=COC1C(C)C
InChIInChI=1S/C8H15NO2/c1-4-11-9-5-6-10-8(9)7(2)3/h5-8H,4H2,1-3H3
InChIKeyHZGDAFFQFZQMSN-UHFFFAOYSA-N
MW157.21 g/mol
LogP1.72
Rot. Bonds3

About 3-ethoxy-2-propan-2-yl-2H-1,3-oxazole

3-ethoxy-2-propan-2-yl-2H-1,3-oxazole (PubChem CID 174941697) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 3-ethoxy-2-propan-2-yl-2H-1,3-oxazole.

Molecular Properties

Compound Name3-ethoxy-2-propan-2-yl-2H-1,3-oxazole
PubChem CID174941697
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name3-ethoxy-2-propan-2-yl-2H-1,3-oxazole
SMILESCCON1C=COC1C(C)C
InChIInChI=1S/C8H15NO2/c1-4-11-9-5-6-10-8(9)7(2)3/h5-8H,4H2,1-3H3
InChIKeyHZGDAFFQFZQMSN-UHFFFAOYSA-N
XLogP1.72
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-2-propan-2-yl-2H-1,3-oxazole?
The IUPAC name of 3-ethoxy-2-propan-2-yl-2H-1,3-oxazole (CID 174941697) is 3-ethoxy-2-propan-2-yl-2H-1,3-oxazole.
What is the SMILES notation for 3-ethoxy-2-propan-2-yl-2H-1,3-oxazole?
The canonical SMILES for 3-ethoxy-2-propan-2-yl-2H-1,3-oxazole is CCON1C=COC1C(C)C.
What is the InChIKey of 3-ethoxy-2-propan-2-yl-2H-1,3-oxazole?
The InChIKey is HZGDAFFQFZQMSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-4-11-9-5-6-10-8(9)7(2)3/h5-8H,4H2,1-3H3.
What are the key properties of 3-ethoxy-2-propan-2-yl-2H-1,3-oxazole?
3-ethoxy-2-propan-2-yl-2H-1,3-oxazole has a molecular weight of 157.21 g/mol, XLogP of 1.72, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-2-propan-2-yl-2H-1,3-oxazole is sourced from PubChem (CID 174941697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).