2-(1-ethoxypropan-2-yl)-4,5-dihydro-1,3-oxazole

C8H15NO2 — CID 70658275

IUPAC2-(1-ethoxypropan-2-yl)-4,5-dihydro-1,3-oxazole
SMILESCCOCC(C)C1=NCCO1
InChIInChI=1S/C8H15NO2/c1-3-10-6-7(2)8-9-4-5-11-8/h7H,3-6H2,1-2H3
InChIKeyHSTYFWJKRWWHJK-UHFFFAOYSA-N
MW157.21 g/mol
LogP1.09
Rot. Bonds4

About 2-(1-ethoxypropan-2-yl)-4,5-dihydro-1,3-oxazole

2-(1-ethoxypropan-2-yl)-4,5-dihydro-1,3-oxazole (PubChem CID 70658275) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 2-(1-ethoxypropan-2-yl)-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-(1-ethoxypropan-2-yl)-4,5-dihydro-1,3-oxazole
PubChem CID70658275
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name2-(1-ethoxypropan-2-yl)-4,5-dihydro-1,3-oxazole
SMILESCCOCC(C)C1=NCCO1
InChIInChI=1S/C8H15NO2/c1-3-10-6-7(2)8-9-4-5-11-8/h7H,3-6H2,1-2H3
InChIKeyHSTYFWJKRWWHJK-UHFFFAOYSA-N
XLogP1.09
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

CID 66412
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CID 566545
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CID 114555
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CID 58054167
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CID 11954763
CID 11954763
CID 18547391
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CID 12209629
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CID 11446387
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CID 15503981
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CID 18372139
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CID 20730304
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CID 21643113
CID 21643113

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethoxypropan-2-yl)-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-(1-ethoxypropan-2-yl)-4,5-dihydro-1,3-oxazole (CID 70658275) is 2-(1-ethoxypropan-2-yl)-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-(1-ethoxypropan-2-yl)-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-(1-ethoxypropan-2-yl)-4,5-dihydro-1,3-oxazole is CCOCC(C)C1=NCCO1.
What is the InChIKey of 2-(1-ethoxypropan-2-yl)-4,5-dihydro-1,3-oxazole?
The InChIKey is HSTYFWJKRWWHJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-3-10-6-7(2)8-9-4-5-11-8/h7H,3-6H2,1-2H3.
What are the key properties of 2-(1-ethoxypropan-2-yl)-4,5-dihydro-1,3-oxazole?
2-(1-ethoxypropan-2-yl)-4,5-dihydro-1,3-oxazole has a molecular weight of 157.21 g/mol, XLogP of 1.09, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethoxypropan-2-yl)-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 70658275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).