(1S,2R,4S,7R)-3,3,7-triphenyl-8-oxa-6-azatricyclo[4.3.0.02,4]nonan-5-one

C25H21NO2 — CID 101470407

IUPAC(1S,2R,4S,7R)-3,3,7-triphenyl-8-oxa-6-azatricyclo[4.3.0.02,4]nonan-5-one
SMILESO=C1[C@H]2[C@@H]([C@H]3CO[C@H](c4ccccc4)N13)C2(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H21NO2/c27-23-22-21(20-16-28-24(26(20)23)17-10-4-1-5-11-17)25(22,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15,20-22,24H,16H2/t20-,21-,22-,24-/m1/s1
InChIKeySNXZSRKQDYHCAT-GBEXAXCTSA-N
MW367.45 g/mol
LogP4.16
Rot. Bonds3

About (1S,2R,4S,7R)-3,3,7-triphenyl-8-oxa-6-azatricyclo[4.3.0.02,4]nonan-5-one

(1S,2R,4S,7R)-3,3,7-triphenyl-8-oxa-6-azatricyclo[4.3.0.02,4]nonan-5-one (PubChem CID 101470407) has the molecular formula C25H21NO2 and a molecular weight of 367.45 g/mol. Its IUPAC name is (1S,2R,4S,7R)-3,3,7-triphenyl-8-oxa-6-azatricyclo[4.3.0.02,4]nonan-5-one.

Molecular Properties

Compound Name(1S,2R,4S,7R)-3,3,7-triphenyl-8-oxa-6-azatricyclo[4.3.0.02,4]nonan-5-one
PubChem CID101470407
Molecular FormulaC25H21NO2
Molecular Weight367.45 g/mol
Exact Mass367.16
IUPAC Name(1S,2R,4S,7R)-3,3,7-triphenyl-8-oxa-6-azatricyclo[4.3.0.02,4]nonan-5-one
SMILESO=C1[C@H]2[C@@H]([C@H]3CO[C@H](c4ccccc4)N13)C2(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H21NO2/c27-23-22-21(20-16-28-24(26(20)23)17-10-4-1-5-11-17)25(22,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15,20-22,24H,16H2/t20-,21-,22-,24-/m1/s1
InChIKeySNXZSRKQDYHCAT-GBEXAXCTSA-N
XLogP4.16
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (1S,2R,4S,7R)-3,3,7-triphenyl-8-oxa-6-azatricyclo[4.3.0.02,4]nonan-5-one with MolForge

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Launch Full Analysis

Related Compounds

benzyl (7S,8R)-1-methyl-5-oxo-7,8-diphenyl-9-oxa-6-azatricyclo[4.3.0.02,4]nonane-4-carboxylate
CID 370754
(1S,2R,4S,7S)-7-tert-butyl-1-phenyl-9-oxa-6-azatricyclo[4.3.0.02,4]nonan-5-one
CID 370890
(1S,2R,4S,7R)-4-fluoro-7-phenyl-8-oxa-6-azatricyclo[4.3.0.02,4]nonan-5-one
CID 118414484
4-Fluoro-7-phenyl-8-oxa-6-azatricyclo[4.3.0.02,4]nonan-5-one
CID 142734577
6-Benzyl-3-phenyltetrahydro-5H-pyrrolo[1,2-c][1,3]oxazol-5-one
CID 500388
(3R,6S,8aR)-6-benzyl-3,8a-diphenyl-3,6,7,8-tetrahydro-2H-[1,3]oxazolo[3,2-a]pyridin-5-one
CID 11501850
(3R,6R,8S,8aR)-6-benzyl-8-ethyl-3,8a-diphenyl-3,6,7,8-tetrahydro-2H-[1,3]oxazolo[3,2-a]pyridin-5-one
CID 11582313
(3S,6S,7aS)-6-benzyl-6-methyl-7a-phenyl-3-propan-2-yl-3,7-dihydro-2H-pyrrolo[2,1-b][1,3]oxazol-5-one
CID 14641070
(3S,6R,7aS)-6-benzyl-6-methyl-7a-phenyl-3-propan-2-yl-3,7-dihydro-2H-pyrrolo[2,1-b][1,3]oxazol-5-one
CID 14641071
(3R,8aR)-3,8a-diphenyl-3,6,7,8-tetrahydro-2H-[1,3]oxazolo[3,2-a]pyridin-5-one
CID 101168164
(1S,2R,4S,7R)-7-phenylspiro[8-oxa-6-azatricyclo[4.3.0.02,4]nonane-3,9'-fluorene]-5-one
CID 101470410
ethyl (1S,2S,4R,7R)-3,3-bis(4-iodophenyl)-5-oxo-7-phenyl-8-oxa-6-azatricyclo[4.3.0.02,4]nonane-4-carboxylate
CID 101470412

Frequently Asked Questions

What is the IUPAC name of (1S,2R,4S,7R)-3,3,7-triphenyl-8-oxa-6-azatricyclo[4.3.0.02,4]nonan-5-one?
The IUPAC name of (1S,2R,4S,7R)-3,3,7-triphenyl-8-oxa-6-azatricyclo[4.3.0.02,4]nonan-5-one (CID 101470407) is (1S,2R,4S,7R)-3,3,7-triphenyl-8-oxa-6-azatricyclo[4.3.0.02,4]nonan-5-one.
What is the SMILES notation for (1S,2R,4S,7R)-3,3,7-triphenyl-8-oxa-6-azatricyclo[4.3.0.02,4]nonan-5-one?
The canonical SMILES for (1S,2R,4S,7R)-3,3,7-triphenyl-8-oxa-6-azatricyclo[4.3.0.02,4]nonan-5-one is O=C1[C@H]2[C@@H]([C@H]3CO[C@H](c4ccccc4)N13)C2(c1ccccc1)c1ccccc1.
What is the InChIKey of (1S,2R,4S,7R)-3,3,7-triphenyl-8-oxa-6-azatricyclo[4.3.0.02,4]nonan-5-one?
The InChIKey is SNXZSRKQDYHCAT-GBEXAXCTSA-N. The full InChI is InChI=1S/C25H21NO2/c27-23-22-21(20-16-28-24(26(20)23)17-10-4-1-5-11-17)25(22,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15,20-22,24H,16H2/t20-,21-,22-,24-/m1/s1.
What are the key properties of (1S,2R,4S,7R)-3,3,7-triphenyl-8-oxa-6-azatricyclo[4.3.0.02,4]nonan-5-one?
(1S,2R,4S,7R)-3,3,7-triphenyl-8-oxa-6-azatricyclo[4.3.0.02,4]nonan-5-one has a molecular weight of 367.45 g/mol, XLogP of 4.16, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,4S,7R)-3,3,7-triphenyl-8-oxa-6-azatricyclo[4.3.0.02,4]nonan-5-one is sourced from PubChem (CID 101470407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).