(5R,6R)-2-(4-methoxyphenyl)-4,5-dimethyl-6-phenyl-5,6-dihydro-1,3,4-oxadiazine

C18H20N2O2 — CID 133082538

IUPAC(5R,6R)-2-(4-methoxyphenyl)-4,5-dimethyl-6-phenyl-5,6-dihydro-1,3,4-oxadiazine
SMILESCOc1ccc(C2=NN(C)[C@H](C)[C@@H](c3ccccc3)O2)cc1
InChIInChI=1S/C18H20N2O2/c1-13-17(14-7-5-4-6-8-14)22-18(19-20(13)2)15-9-11-16(21-3)12-10-15/h4-13,17H,1-3H3/t13-,17+/m1/s1
InChIKeyACHWFLMOGFIHQP-DYVFJYSZSA-N
MW296.37 g/mol
LogP3.45
Rot. Bonds3

About (5R,6R)-2-(4-methoxyphenyl)-4,5-dimethyl-6-phenyl-5,6-dihydro-1,3,4-oxadiazine

(5R,6R)-2-(4-methoxyphenyl)-4,5-dimethyl-6-phenyl-5,6-dihydro-1,3,4-oxadiazine (PubChem CID 133082538) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is (5R,6R)-2-(4-methoxyphenyl)-4,5-dimethyl-6-phenyl-5,6-dihydro-1,3,4-oxadiazine.

Molecular Properties

Compound Name(5R,6R)-2-(4-methoxyphenyl)-4,5-dimethyl-6-phenyl-5,6-dihydro-1,3,4-oxadiazine
PubChem CID133082538
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name(5R,6R)-2-(4-methoxyphenyl)-4,5-dimethyl-6-phenyl-5,6-dihydro-1,3,4-oxadiazine
SMILESCOc1ccc(C2=NN(C)[C@H](C)[C@@H](c3ccccc3)O2)cc1
InChIInChI=1S/C18H20N2O2/c1-13-17(14-7-5-4-6-8-14)22-18(19-20(13)2)15-9-11-16(21-3)12-10-15/h4-13,17H,1-3H3/t13-,17+/m1/s1
InChIKeyACHWFLMOGFIHQP-DYVFJYSZSA-N
XLogP3.45
TPSA34.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5R,6R)-2-(4-methoxyphenyl)-4,5-dimethyl-6-phenyl-5,6-dihydro-1,3,4-oxadiazine?
The IUPAC name of (5R,6R)-2-(4-methoxyphenyl)-4,5-dimethyl-6-phenyl-5,6-dihydro-1,3,4-oxadiazine (CID 133082538) is (5R,6R)-2-(4-methoxyphenyl)-4,5-dimethyl-6-phenyl-5,6-dihydro-1,3,4-oxadiazine.
What is the SMILES notation for (5R,6R)-2-(4-methoxyphenyl)-4,5-dimethyl-6-phenyl-5,6-dihydro-1,3,4-oxadiazine?
The canonical SMILES for (5R,6R)-2-(4-methoxyphenyl)-4,5-dimethyl-6-phenyl-5,6-dihydro-1,3,4-oxadiazine is COc1ccc(C2=NN(C)[C@H](C)[C@@H](c3ccccc3)O2)cc1.
What is the InChIKey of (5R,6R)-2-(4-methoxyphenyl)-4,5-dimethyl-6-phenyl-5,6-dihydro-1,3,4-oxadiazine?
The InChIKey is ACHWFLMOGFIHQP-DYVFJYSZSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-13-17(14-7-5-4-6-8-14)22-18(19-20(13)2)15-9-11-16(21-3)12-10-15/h4-13,17H,1-3H3/t13-,17+/m1/s1.
What are the key properties of (5R,6R)-2-(4-methoxyphenyl)-4,5-dimethyl-6-phenyl-5,6-dihydro-1,3,4-oxadiazine?
(5R,6R)-2-(4-methoxyphenyl)-4,5-dimethyl-6-phenyl-5,6-dihydro-1,3,4-oxadiazine has a molecular weight of 296.37 g/mol, XLogP of 3.45, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6R)-2-(4-methoxyphenyl)-4,5-dimethyl-6-phenyl-5,6-dihydro-1,3,4-oxadiazine is sourced from PubChem (CID 133082538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).