2-(2-butan-2-yloxyethyl)-4,5-dihydro-1,3-oxazole

C9H17NO2 — CID 121482211

IUPAC2-(2-butan-2-yloxyethyl)-4,5-dihydro-1,3-oxazole
SMILESCCC(C)OCCC1=NCCO1
InChIInChI=1S/C9H17NO2/c1-3-8(2)11-6-4-9-10-5-7-12-9/h8H,3-7H2,1-2H3
InChIKeyBDOZFWUXKIVCCA-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.62
Rot. Bonds5

About 2-(2-butan-2-yloxyethyl)-4,5-dihydro-1,3-oxazole

2-(2-butan-2-yloxyethyl)-4,5-dihydro-1,3-oxazole (PubChem CID 121482211) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 2-(2-butan-2-yloxyethyl)-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-(2-butan-2-yloxyethyl)-4,5-dihydro-1,3-oxazole
PubChem CID121482211
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name2-(2-butan-2-yloxyethyl)-4,5-dihydro-1,3-oxazole
SMILESCCC(C)OCCC1=NCCO1
InChIInChI=1S/C9H17NO2/c1-3-8(2)11-6-4-9-10-5-7-12-9/h8H,3-7H2,1-2H3
InChIKeyBDOZFWUXKIVCCA-UHFFFAOYSA-N
XLogP1.62
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-butan-2-yloxyethyl)-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-(2-butan-2-yloxyethyl)-4,5-dihydro-1,3-oxazole (CID 121482211) is 2-(2-butan-2-yloxyethyl)-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-(2-butan-2-yloxyethyl)-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-(2-butan-2-yloxyethyl)-4,5-dihydro-1,3-oxazole is CCC(C)OCCC1=NCCO1.
What is the InChIKey of 2-(2-butan-2-yloxyethyl)-4,5-dihydro-1,3-oxazole?
The InChIKey is BDOZFWUXKIVCCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-3-8(2)11-6-4-9-10-5-7-12-9/h8H,3-7H2,1-2H3.
What are the key properties of 2-(2-butan-2-yloxyethyl)-4,5-dihydro-1,3-oxazole?
2-(2-butan-2-yloxyethyl)-4,5-dihydro-1,3-oxazole has a molecular weight of 171.24 g/mol, XLogP of 1.62, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-butan-2-yloxyethyl)-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 121482211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).