4-(3-phenyl-2,5-dihydro-1,2-oxazol-4-yl)morpholine

C13H16N2O2 — CID 57066823

IUPAC4-(3-phenyl-2,5-dihydro-1,2-oxazol-4-yl)morpholine
SMILESc1ccc(C2=C(N3CCOCC3)CON2)cc1
InChIInChI=1S/C13H16N2O2/c1-2-4-11(5-3-1)13-12(10-17-14-13)15-6-8-16-9-7-15/h1-5,14H,6-10H2
InChIKeySAWWQLVOKBLABE-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.22
Rot. Bonds2

About 4-(3-phenyl-2,5-dihydro-1,2-oxazol-4-yl)morpholine

4-(3-phenyl-2,5-dihydro-1,2-oxazol-4-yl)morpholine (PubChem CID 57066823) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 4-(3-phenyl-2,5-dihydro-1,2-oxazol-4-yl)morpholine.

Molecular Properties

Compound Name4-(3-phenyl-2,5-dihydro-1,2-oxazol-4-yl)morpholine
PubChem CID57066823
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name4-(3-phenyl-2,5-dihydro-1,2-oxazol-4-yl)morpholine
SMILESc1ccc(C2=C(N3CCOCC3)CON2)cc1
InChIInChI=1S/C13H16N2O2/c1-2-4-11(5-3-1)13-12(10-17-14-13)15-6-8-16-9-7-15/h1-5,14H,6-10H2
InChIKeySAWWQLVOKBLABE-UHFFFAOYSA-N
XLogP1.22
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-phenyl-2,5-dihydro-1,2-oxazol-4-yl)morpholine?
The IUPAC name of 4-(3-phenyl-2,5-dihydro-1,2-oxazol-4-yl)morpholine (CID 57066823) is 4-(3-phenyl-2,5-dihydro-1,2-oxazol-4-yl)morpholine.
What is the SMILES notation for 4-(3-phenyl-2,5-dihydro-1,2-oxazol-4-yl)morpholine?
The canonical SMILES for 4-(3-phenyl-2,5-dihydro-1,2-oxazol-4-yl)morpholine is c1ccc(C2=C(N3CCOCC3)CON2)cc1.
What is the InChIKey of 4-(3-phenyl-2,5-dihydro-1,2-oxazol-4-yl)morpholine?
The InChIKey is SAWWQLVOKBLABE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-2-4-11(5-3-1)13-12(10-17-14-13)15-6-8-16-9-7-15/h1-5,14H,6-10H2.
What are the key properties of 4-(3-phenyl-2,5-dihydro-1,2-oxazol-4-yl)morpholine?
4-(3-phenyl-2,5-dihydro-1,2-oxazol-4-yl)morpholine has a molecular weight of 232.28 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-phenyl-2,5-dihydro-1,2-oxazol-4-yl)morpholine is sourced from PubChem (CID 57066823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).