2-(4,5-dihydro-1,3-oxazol-2-yl)-5,6-dihydro-4H-1,3-oxazine

C7H10N2O2 — CID 20538722

IUPAC2-(4,5-dihydro-1,3-oxazol-2-yl)-5,6-dihydro-4H-1,3-oxazine
SMILESC1CN=C(C2=NCCO2)OC1
InChIInChI=1S/C7H10N2O2/c1-2-8-6(10-4-1)7-9-3-5-11-7/h1-5H2
InChIKeyURRFGQUOWOILSP-UHFFFAOYSA-N
MW154.17 g/mol
LogP0.23
Rot. Bonds1

About 2-(4,5-dihydro-1,3-oxazol-2-yl)-5,6-dihydro-4H-1,3-oxazine

2-(4,5-dihydro-1,3-oxazol-2-yl)-5,6-dihydro-4H-1,3-oxazine (PubChem CID 20538722) has the molecular formula C7H10N2O2 and a molecular weight of 154.17 g/mol. Its IUPAC name is 2-(4,5-dihydro-1,3-oxazol-2-yl)-5,6-dihydro-4H-1,3-oxazine.

Molecular Properties

Compound Name2-(4,5-dihydro-1,3-oxazol-2-yl)-5,6-dihydro-4H-1,3-oxazine
PubChem CID20538722
Molecular FormulaC7H10N2O2
Molecular Weight154.17 g/mol
Exact Mass154.07
IUPAC Name2-(4,5-dihydro-1,3-oxazol-2-yl)-5,6-dihydro-4H-1,3-oxazine
SMILESC1CN=C(C2=NCCO2)OC1
InChIInChI=1S/C7H10N2O2/c1-2-8-6(10-4-1)7-9-3-5-11-7/h1-5H2
InChIKeyURRFGQUOWOILSP-UHFFFAOYSA-N
XLogP0.23
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 50.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dihydro-1,3-oxazol-2-yl)-5,6-dihydro-4H-1,3-oxazine?
The IUPAC name of 2-(4,5-dihydro-1,3-oxazol-2-yl)-5,6-dihydro-4H-1,3-oxazine (CID 20538722) is 2-(4,5-dihydro-1,3-oxazol-2-yl)-5,6-dihydro-4H-1,3-oxazine.
What is the SMILES notation for 2-(4,5-dihydro-1,3-oxazol-2-yl)-5,6-dihydro-4H-1,3-oxazine?
The canonical SMILES for 2-(4,5-dihydro-1,3-oxazol-2-yl)-5,6-dihydro-4H-1,3-oxazine is C1CN=C(C2=NCCO2)OC1.
What is the InChIKey of 2-(4,5-dihydro-1,3-oxazol-2-yl)-5,6-dihydro-4H-1,3-oxazine?
The InChIKey is URRFGQUOWOILSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2/c1-2-8-6(10-4-1)7-9-3-5-11-7/h1-5H2.
What are the key properties of 2-(4,5-dihydro-1,3-oxazol-2-yl)-5,6-dihydro-4H-1,3-oxazine?
2-(4,5-dihydro-1,3-oxazol-2-yl)-5,6-dihydro-4H-1,3-oxazine has a molecular weight of 154.17 g/mol, XLogP of 0.23, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dihydro-1,3-oxazol-2-yl)-5,6-dihydro-4H-1,3-oxazine is sourced from PubChem (CID 20538722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).