(3aS,8bR)-2-[[(3aS,8bR)-2,3a,4,8b-tetrahydro-1H-indeno[1,2-d][1,3]oxazol-2-yl]methylidene]-1,3a,4,8b-tetrahydroindeno[1,2-d][1,3]oxazole

C21H20N2O2 — CID 162275079

IUPAC(3aS,8bR)-2-[[(3aS,8bR)-2,3a,4,8b-tetrahydro-1H-indeno[1,2-d][1,3]oxazol-2-yl]methylidene]-1,3a,4,8b-tetrahydroindeno[1,2-d][1,3]oxazole
SMILESC(=C1N[C@@H]2c3ccccc3C[C@@H]2O1)C1N[C@@H]2c3ccccc3C[C@@H]2O1
InChIInChI=1S/C21H20N2O2/c1-3-7-14-12(5-1)9-16-20(14)22-18(24-16)11-19-23-21-15-8-4-2-6-13(15)10-17(21)25-19/h1-8,11,16-18,20-23H,9-10H2/t16-,17-,18?,20+,21+/m0/s1
InChIKeyPNWIPJDNEIIHJO-FDMDFMEXSA-N
MW332.40 g/mol
LogP2.73
Rot. Bonds1

About (3aS,8bR)-2-[[(3aS,8bR)-2,3a,4,8b-tetrahydro-1H-indeno[1,2-d][1,3]oxazol-2-yl]methylidene]-1,3a,4,8b-tetrahydroindeno[1,2-d][1,3]oxazole

(3aS,8bR)-2-[[(3aS,8bR)-2,3a,4,8b-tetrahydro-1H-indeno[1,2-d][1,3]oxazol-2-yl]methylidene]-1,3a,4,8b-tetrahydroindeno[1,2-d][1,3]oxazole (PubChem CID 162275079) has the molecular formula C21H20N2O2 and a molecular weight of 332.40 g/mol. Its IUPAC name is (3aS,8bR)-2-[[(3aS,8bR)-2,3a,4,8b-tetrahydro-1H-indeno[1,2-d][1,3]oxazol-2-yl]methylidene]-1,3a,4,8b-tetrahydroindeno[1,2-d][1,3]oxazole.

Molecular Properties

Compound Name(3aS,8bR)-2-[[(3aS,8bR)-2,3a,4,8b-tetrahydro-1H-indeno[1,2-d][1,3]oxazol-2-yl]methylidene]-1,3a,4,8b-tetrahydroindeno[1,2-d][1,3]oxazole
PubChem CID162275079
Molecular FormulaC21H20N2O2
Molecular Weight332.40 g/mol
Exact Mass332.15
IUPAC Name(3aS,8bR)-2-[[(3aS,8bR)-2,3a,4,8b-tetrahydro-1H-indeno[1,2-d][1,3]oxazol-2-yl]methylidene]-1,3a,4,8b-tetrahydroindeno[1,2-d][1,3]oxazole
SMILESC(=C1N[C@@H]2c3ccccc3C[C@@H]2O1)C1N[C@@H]2c3ccccc3C[C@@H]2O1
InChIInChI=1S/C21H20N2O2/c1-3-7-14-12(5-1)9-16-20(14)22-18(24-16)11-19-23-21-15-8-4-2-6-13(15)10-17(21)25-19/h1-8,11,16-18,20-23H,9-10H2/t16-,17-,18?,20+,21+/m0/s1
InChIKeyPNWIPJDNEIIHJO-FDMDFMEXSA-N
XLogP2.73
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3aS,8bR)-2-[[(3aS,8bR)-2,3a,4,8b-tetrahydro-1H-indeno[1,2-d][1,3]oxazol-2-yl]methylidene]-1,3a,4,8b-tetrahydroindeno[1,2-d][1,3]oxazole with MolForge

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Related Compounds

(3aR,8bS)-1,3a,4,8b-tetrahydroindeno[1,2-d][1,3]oxazole-2-thione
CID 147368234
CID 59694666
CID 59694666
(2aR,7bS)-2,2a,3,7b-tetrahydro-1H-indeno[1,2-b]azete
CID 93492521
(3aR,8bS)-2-[2-[(3aR,8bS)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-yl]phenyl]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole
CID 10949221
(3aR,8bS)-2-methyl-1,3a,4,8b-tetrahydroindeno[1,2-d][1,3,2]oxazaborole
CID 10888391
(3aR,8bS)-2,2-dimethyl-1,3a,4,8b-tetrahydroindeno[1,2-d][1,3]oxazole
CID 89389775
CID 121233931
CID 121233931
CID 23662091
CID 23662091
(1S,3S)-1,3-dimethyl-3,4-dihydro-1H-isochromene
CID 6429796
bicyclo[4.2.0]octa-1,3,5-trien-7-amine
CID 2753029
(3aS,8bR)-3-propan-2-yl-1,3a,4,8b-tetrahydroindeno[1,2-c]pyrazole
CID 97357523
(1R,9S)-10-oxa-12-thiatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,11(15),13-pentaene
CID 162419229

Frequently Asked Questions

What is the IUPAC name of (3aS,8bR)-2-[[(3aS,8bR)-2,3a,4,8b-tetrahydro-1H-indeno[1,2-d][1,3]oxazol-2-yl]methylidene]-1,3a,4,8b-tetrahydroindeno[1,2-d][1,3]oxazole?
The IUPAC name of (3aS,8bR)-2-[[(3aS,8bR)-2,3a,4,8b-tetrahydro-1H-indeno[1,2-d][1,3]oxazol-2-yl]methylidene]-1,3a,4,8b-tetrahydroindeno[1,2-d][1,3]oxazole (CID 162275079) is (3aS,8bR)-2-[[(3aS,8bR)-2,3a,4,8b-tetrahydro-1H-indeno[1,2-d][1,3]oxazol-2-yl]methylidene]-1,3a,4,8b-tetrahydroindeno[1,2-d][1,3]oxazole.
What is the SMILES notation for (3aS,8bR)-2-[[(3aS,8bR)-2,3a,4,8b-tetrahydro-1H-indeno[1,2-d][1,3]oxazol-2-yl]methylidene]-1,3a,4,8b-tetrahydroindeno[1,2-d][1,3]oxazole?
The canonical SMILES for (3aS,8bR)-2-[[(3aS,8bR)-2,3a,4,8b-tetrahydro-1H-indeno[1,2-d][1,3]oxazol-2-yl]methylidene]-1,3a,4,8b-tetrahydroindeno[1,2-d][1,3]oxazole is C(=C1N[C@@H]2c3ccccc3C[C@@H]2O1)C1N[C@@H]2c3ccccc3C[C@@H]2O1.
What is the InChIKey of (3aS,8bR)-2-[[(3aS,8bR)-2,3a,4,8b-tetrahydro-1H-indeno[1,2-d][1,3]oxazol-2-yl]methylidene]-1,3a,4,8b-tetrahydroindeno[1,2-d][1,3]oxazole?
The InChIKey is PNWIPJDNEIIHJO-FDMDFMEXSA-N. The full InChI is InChI=1S/C21H20N2O2/c1-3-7-14-12(5-1)9-16-20(14)22-18(24-16)11-19-23-21-15-8-4-2-6-13(15)10-17(21)25-19/h1-8,11,16-18,20-23H,9-10H2/t16-,17-,18?,20+,21+/m0/s1.
What are the key properties of (3aS,8bR)-2-[[(3aS,8bR)-2,3a,4,8b-tetrahydro-1H-indeno[1,2-d][1,3]oxazol-2-yl]methylidene]-1,3a,4,8b-tetrahydroindeno[1,2-d][1,3]oxazole?
(3aS,8bR)-2-[[(3aS,8bR)-2,3a,4,8b-tetrahydro-1H-indeno[1,2-d][1,3]oxazol-2-yl]methylidene]-1,3a,4,8b-tetrahydroindeno[1,2-d][1,3]oxazole has a molecular weight of 332.40 g/mol, XLogP of 2.73, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,8bR)-2-[[(3aS,8bR)-2,3a,4,8b-tetrahydro-1H-indeno[1,2-d][1,3]oxazol-2-yl]methylidene]-1,3a,4,8b-tetrahydroindeno[1,2-d][1,3]oxazole is sourced from PubChem (CID 162275079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).