(5R,10R)-5,10-diphenyl-3,8-dioxa-1,6-diazabicyclo[4.4.1]undecane

C19H22N2O2 — CID 14874965

IUPAC(5R,10R)-5,10-diphenyl-3,8-dioxa-1,6-diazabicyclo[4.4.1]undecane
SMILESc1ccc([C@@H]2COCN3CN2COC[C@H]3c2ccccc2)cc1
InChIInChI=1S/C19H22N2O2/c1-3-7-16(8-4-1)18-11-22-15-21-13-20(18)14-23-12-19(21)17-9-5-2-6-10-17/h1-10,18-19H,11-15H2/t18-,19-/m0/s1
InChIKeyWPFLPWMXKDEKIL-OALUTQOASA-N
MW310.40 g/mol
LogP3.01
Rot. Bonds2

About (5R,10R)-5,10-diphenyl-3,8-dioxa-1,6-diazabicyclo[4.4.1]undecane

(5R,10R)-5,10-diphenyl-3,8-dioxa-1,6-diazabicyclo[4.4.1]undecane (PubChem CID 14874965) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is (5R,10R)-5,10-diphenyl-3,8-dioxa-1,6-diazabicyclo[4.4.1]undecane.

Molecular Properties

Compound Name(5R,10R)-5,10-diphenyl-3,8-dioxa-1,6-diazabicyclo[4.4.1]undecane
PubChem CID14874965
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name(5R,10R)-5,10-diphenyl-3,8-dioxa-1,6-diazabicyclo[4.4.1]undecane
SMILESc1ccc([C@@H]2COCN3CN2COC[C@H]3c2ccccc2)cc1
InChIInChI=1S/C19H22N2O2/c1-3-7-16(8-4-1)18-11-22-15-21-13-20(18)14-23-12-19(21)17-9-5-2-6-10-17/h1-10,18-19H,11-15H2/t18-,19-/m0/s1
InChIKeyWPFLPWMXKDEKIL-OALUTQOASA-N
XLogP3.01
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (5R,10R)-5,10-diphenyl-3,8-dioxa-1,6-diazabicyclo[4.4.1]undecane with MolForge

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Related Compounds

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CID 19920145
phenyl-[4-(4-phenyl-1,3-oxazolidin-3-yl)phenyl]diazene
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3-phenyl-4-sulfanylmorpholine
CID 126759957
(3R)-3,4-diphenylmorpholine
CID 22860790
4-methyl-3-phenyl-1,4-oxazepane
CID 144722829
(2R)-1-chloro-2-phenylaziridine
CID 13129910
(3aR,6S,6aS)-6-phenyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one
CID 11252672
(4S)-3-[3-(3-fluorophenyl)prop-2-ynyl]-4-phenyl-1,3-oxazolidine
CID 122391161
(4S,9aR)-4-phenyl-1,3,4,6,7,8,9,9a-octahydropyrazino[2,1-c][1,4]oxazine;hydrochloride
CID 154919958
2-phenyloxirane
CID 7276
(2R,3S)-2-bromo-3-(4-bromophenyl)-1-[(4R)-4-phenyl-1,3-oxazolidin-3-yl]butan-1-one
CID 141092203
(4R)-4-phenyl-3,4,7,8-tetrahydro-1H-pyrido[2,1-c][1,4]oxazin-6-one
CID 67460898

Frequently Asked Questions

What is the IUPAC name of (5R,10R)-5,10-diphenyl-3,8-dioxa-1,6-diazabicyclo[4.4.1]undecane?
The IUPAC name of (5R,10R)-5,10-diphenyl-3,8-dioxa-1,6-diazabicyclo[4.4.1]undecane (CID 14874965) is (5R,10R)-5,10-diphenyl-3,8-dioxa-1,6-diazabicyclo[4.4.1]undecane.
What is the SMILES notation for (5R,10R)-5,10-diphenyl-3,8-dioxa-1,6-diazabicyclo[4.4.1]undecane?
The canonical SMILES for (5R,10R)-5,10-diphenyl-3,8-dioxa-1,6-diazabicyclo[4.4.1]undecane is c1ccc([C@@H]2COCN3CN2COC[C@H]3c2ccccc2)cc1.
What is the InChIKey of (5R,10R)-5,10-diphenyl-3,8-dioxa-1,6-diazabicyclo[4.4.1]undecane?
The InChIKey is WPFLPWMXKDEKIL-OALUTQOASA-N. The full InChI is InChI=1S/C19H22N2O2/c1-3-7-16(8-4-1)18-11-22-15-21-13-20(18)14-23-12-19(21)17-9-5-2-6-10-17/h1-10,18-19H,11-15H2/t18-,19-/m0/s1.
What are the key properties of (5R,10R)-5,10-diphenyl-3,8-dioxa-1,6-diazabicyclo[4.4.1]undecane?
(5R,10R)-5,10-diphenyl-3,8-dioxa-1,6-diazabicyclo[4.4.1]undecane has a molecular weight of 310.40 g/mol, XLogP of 3.01, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,10R)-5,10-diphenyl-3,8-dioxa-1,6-diazabicyclo[4.4.1]undecane is sourced from PubChem (CID 14874965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).