(5R)-3-methyl-5-[(4R,5R)-3-methyl-5-phenyl-4,5-dihydro-1,2-oxazol-4-yl]-1,4,2-dioxazole

C13H14N2O3 — CID 165341529

IUPAC(5R)-3-methyl-5-[(4R,5R)-3-methyl-5-phenyl-4,5-dihydro-1,2-oxazol-4-yl]-1,4,2-dioxazole
SMILESCC1=NO[C@H]([C@@H]2C(C)=NO[C@H]2c2ccccc2)O1
InChIInChI=1S/C13H14N2O3/c1-8-11(13-16-9(2)15-18-13)12(17-14-8)10-6-4-3-5-7-10/h3-7,11-13H,1-2H3/t11-,12+,13-/m1/s1
InChIKeyQDWFSOZWICRQHA-FRRDWIJNSA-N
MW246.27 g/mol
LogP2.46
Rot. Bonds2

About (5R)-3-methyl-5-[(4R,5R)-3-methyl-5-phenyl-4,5-dihydro-1,2-oxazol-4-yl]-1,4,2-dioxazole

(5R)-3-methyl-5-[(4R,5R)-3-methyl-5-phenyl-4,5-dihydro-1,2-oxazol-4-yl]-1,4,2-dioxazole (PubChem CID 165341529) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is (5R)-3-methyl-5-[(4R,5R)-3-methyl-5-phenyl-4,5-dihydro-1,2-oxazol-4-yl]-1,4,2-dioxazole.

Molecular Properties

Compound Name(5R)-3-methyl-5-[(4R,5R)-3-methyl-5-phenyl-4,5-dihydro-1,2-oxazol-4-yl]-1,4,2-dioxazole
PubChem CID165341529
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Name(5R)-3-methyl-5-[(4R,5R)-3-methyl-5-phenyl-4,5-dihydro-1,2-oxazol-4-yl]-1,4,2-dioxazole
SMILESCC1=NO[C@H]([C@@H]2C(C)=NO[C@H]2c2ccccc2)O1
InChIInChI=1S/C13H14N2O3/c1-8-11(13-16-9(2)15-18-13)12(17-14-8)10-6-4-3-5-7-10/h3-7,11-13H,1-2H3/t11-,12+,13-/m1/s1
InChIKeyQDWFSOZWICRQHA-FRRDWIJNSA-N
XLogP2.46
TPSA52.41 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5R)-3-methyl-5-[(4R,5R)-3-methyl-5-phenyl-4,5-dihydro-1,2-oxazol-4-yl]-1,4,2-dioxazole?
The IUPAC name of (5R)-3-methyl-5-[(4R,5R)-3-methyl-5-phenyl-4,5-dihydro-1,2-oxazol-4-yl]-1,4,2-dioxazole (CID 165341529) is (5R)-3-methyl-5-[(4R,5R)-3-methyl-5-phenyl-4,5-dihydro-1,2-oxazol-4-yl]-1,4,2-dioxazole.
What is the SMILES notation for (5R)-3-methyl-5-[(4R,5R)-3-methyl-5-phenyl-4,5-dihydro-1,2-oxazol-4-yl]-1,4,2-dioxazole?
The canonical SMILES for (5R)-3-methyl-5-[(4R,5R)-3-methyl-5-phenyl-4,5-dihydro-1,2-oxazol-4-yl]-1,4,2-dioxazole is CC1=NO[C@H]([C@@H]2C(C)=NO[C@H]2c2ccccc2)O1.
What is the InChIKey of (5R)-3-methyl-5-[(4R,5R)-3-methyl-5-phenyl-4,5-dihydro-1,2-oxazol-4-yl]-1,4,2-dioxazole?
The InChIKey is QDWFSOZWICRQHA-FRRDWIJNSA-N. The full InChI is InChI=1S/C13H14N2O3/c1-8-11(13-16-9(2)15-18-13)12(17-14-8)10-6-4-3-5-7-10/h3-7,11-13H,1-2H3/t11-,12+,13-/m1/s1.
What are the key properties of (5R)-3-methyl-5-[(4R,5R)-3-methyl-5-phenyl-4,5-dihydro-1,2-oxazol-4-yl]-1,4,2-dioxazole?
(5R)-3-methyl-5-[(4R,5R)-3-methyl-5-phenyl-4,5-dihydro-1,2-oxazol-4-yl]-1,4,2-dioxazole has a molecular weight of 246.27 g/mol, XLogP of 2.46, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-methyl-5-[(4R,5R)-3-methyl-5-phenyl-4,5-dihydro-1,2-oxazol-4-yl]-1,4,2-dioxazole is sourced from PubChem (CID 165341529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).