tris(4,5-dihydro-1,3-oxazole);ethane

C11H21N3O3 — CID 158287588

IUPACtris(4,5-dihydro-1,3-oxazole);ethane
SMILESC1=NCCO1.C1=NCCO1.C1=NCCO1.CC
InChIInChI=1S/3C3H5NO.C2H6/c3*1-2-5-3-4-1;1-2/h3*3H,1-2H2;1-2H3
InChIKeyGKYVJLJUDSYQRZ-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.16
Rot. Bonds

About tris(4,5-dihydro-1,3-oxazole);ethane

tris(4,5-dihydro-1,3-oxazole);ethane (PubChem CID 158287588) has the molecular formula C11H21N3O3 and a molecular weight of 243.31 g/mol. Its IUPAC name is tris(4,5-dihydro-1,3-oxazole);ethane.

Molecular Properties

Compound Nametris(4,5-dihydro-1,3-oxazole);ethane
PubChem CID158287588
Molecular FormulaC11H21N3O3
Molecular Weight243.31 g/mol
Exact Mass243.16
IUPAC Nametris(4,5-dihydro-1,3-oxazole);ethane
SMILESC1=NCCO1.C1=NCCO1.C1=NCCO1.CC
InChIInChI=1S/3C3H5NO.C2H6/c3*1-2-5-3-4-1;1-2/h3*3H,1-2H2;1-2H3
InChIKeyGKYVJLJUDSYQRZ-UHFFFAOYSA-N
XLogP1.16
TPSA64.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tris(4,5-dihydro-1,3-oxazole);ethane?
The IUPAC name of tris(4,5-dihydro-1,3-oxazole);ethane (CID 158287588) is tris(4,5-dihydro-1,3-oxazole);ethane.
What is the SMILES notation for tris(4,5-dihydro-1,3-oxazole);ethane?
The canonical SMILES for tris(4,5-dihydro-1,3-oxazole);ethane is C1=NCCO1.C1=NCCO1.C1=NCCO1.CC.
What is the InChIKey of tris(4,5-dihydro-1,3-oxazole);ethane?
The InChIKey is GKYVJLJUDSYQRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/3C3H5NO.C2H6/c3*1-2-5-3-4-1;1-2/h3*3H,1-2H2;1-2H3.
What are the key properties of tris(4,5-dihydro-1,3-oxazole);ethane?
tris(4,5-dihydro-1,3-oxazole);ethane has a molecular weight of 243.31 g/mol, XLogP of 1.16, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tris(4,5-dihydro-1,3-oxazole);ethane is sourced from PubChem (CID 158287588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).