2-[1-(oxiran-2-yl)ethyl]-4,5-dihydro-1,3-oxazole

C7H11NO2 — CID 174687713

IUPAC2-[1-(oxiran-2-yl)ethyl]-4,5-dihydro-1,3-oxazole
SMILESCC(C1=NCCO1)C1CO1
InChIInChI=1S/C7H11NO2/c1-5(6-4-10-6)7-8-2-3-9-7/h5-6H,2-4H2,1H3
InChIKeyOBJXQDHNFSCLQN-UHFFFAOYSA-N
MW141.17 g/mol
LogP0.45
Rot. Bonds2

About 2-[1-(oxiran-2-yl)ethyl]-4,5-dihydro-1,3-oxazole

2-[1-(oxiran-2-yl)ethyl]-4,5-dihydro-1,3-oxazole (PubChem CID 174687713) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is 2-[1-(oxiran-2-yl)ethyl]-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-[1-(oxiran-2-yl)ethyl]-4,5-dihydro-1,3-oxazole
PubChem CID174687713
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Name2-[1-(oxiran-2-yl)ethyl]-4,5-dihydro-1,3-oxazole
SMILESCC(C1=NCCO1)C1CO1
InChIInChI=1S/C7H11NO2/c1-5(6-4-10-6)7-8-2-3-9-7/h5-6H,2-4H2,1H3
InChIKeyOBJXQDHNFSCLQN-UHFFFAOYSA-N
XLogP0.45
TPSA34.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(oxiran-2-yl)ethyl]-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-[1-(oxiran-2-yl)ethyl]-4,5-dihydro-1,3-oxazole (CID 174687713) is 2-[1-(oxiran-2-yl)ethyl]-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-[1-(oxiran-2-yl)ethyl]-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-[1-(oxiran-2-yl)ethyl]-4,5-dihydro-1,3-oxazole is CC(C1=NCCO1)C1CO1.
What is the InChIKey of 2-[1-(oxiran-2-yl)ethyl]-4,5-dihydro-1,3-oxazole?
The InChIKey is OBJXQDHNFSCLQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2/c1-5(6-4-10-6)7-8-2-3-9-7/h5-6H,2-4H2,1H3.
What are the key properties of 2-[1-(oxiran-2-yl)ethyl]-4,5-dihydro-1,3-oxazole?
2-[1-(oxiran-2-yl)ethyl]-4,5-dihydro-1,3-oxazole has a molecular weight of 141.17 g/mol, XLogP of 0.45, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(oxiran-2-yl)ethyl]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 174687713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).