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

C5H8N2O — CID 19773895

IUPAC2-(aziridin-1-yl)-4,5-dihydro-1,3-oxazole
SMILESC1COC(N2CC2)=N1
InChIInChI=1S/C5H8N2O/c1-4-8-5(6-1)7-2-3-7/h1-4H2
InChIKeySUUSNDZEWZWPSK-UHFFFAOYSA-N
MW112.13 g/mol
LogP-0.31
Rot. Bonds

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

2-(aziridin-1-yl)-4,5-dihydro-1,3-oxazole (PubChem CID 19773895) has the molecular formula C5H8N2O and a molecular weight of 112.13 g/mol. Its IUPAC name is 2-(aziridin-1-yl)-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-(aziridin-1-yl)-4,5-dihydro-1,3-oxazole
PubChem CID19773895
Molecular FormulaC5H8N2O
Molecular Weight112.13 g/mol
Exact Mass112.06
IUPAC Name2-(aziridin-1-yl)-4,5-dihydro-1,3-oxazole
SMILESC1COC(N2CC2)=N1
InChIInChI=1S/C5H8N2O/c1-4-8-5(6-1)7-2-3-7/h1-4H2
InChIKeySUUSNDZEWZWPSK-UHFFFAOYSA-N
XLogP-0.31
TPSA24.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.13
LogP ≤ 5-0.31
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-(aziridin-1-yl)-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-(aziridin-1-yl)-4,5-dihydro-1,3-oxazole (CID 19773895) is 2-(aziridin-1-yl)-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-(aziridin-1-yl)-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-(aziridin-1-yl)-4,5-dihydro-1,3-oxazole is C1COC(N2CC2)=N1.
What is the InChIKey of 2-(aziridin-1-yl)-4,5-dihydro-1,3-oxazole?
The InChIKey is SUUSNDZEWZWPSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O/c1-4-8-5(6-1)7-2-3-7/h1-4H2.
What are the key properties of 2-(aziridin-1-yl)-4,5-dihydro-1,3-oxazole?
2-(aziridin-1-yl)-4,5-dihydro-1,3-oxazole has a molecular weight of 112.13 g/mol, XLogP of -0.31, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aziridin-1-yl)-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 19773895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).