2-(4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-ylmethyl)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole

C21H18N2O2 — CID 3619573

IUPAC2-(4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-ylmethyl)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole
SMILESc1ccc2c(c1)CC1OC(CC3=NC4c5ccccc5CC4O3)=NC21
InChIInChI=1S/C21H18N2O2/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/h1-8,16-17,20-21H,9-11H2
InChIKeyBDHSVQLSNIGJNC-UHFFFAOYSA-N
MW330.39 g/mol
LogP3.57
Rot. Bonds2

About 2-(4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-ylmethyl)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole

2-(4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-ylmethyl)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole (PubChem CID 3619573) has the molecular formula C21H18N2O2 and a molecular weight of 330.39 g/mol. Its IUPAC name is 2-(4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-ylmethyl)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole.

Molecular Properties

Compound Name2-(4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-ylmethyl)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole
PubChem CID3619573
Molecular FormulaC21H18N2O2
Molecular Weight330.39 g/mol
Exact Mass330.14
IUPAC Name2-(4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-ylmethyl)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole
SMILESc1ccc2c(c1)CC1OC(CC3=NC4c5ccccc5CC4O3)=NC21
InChIInChI=1S/C21H18N2O2/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/h1-8,16-17,20-21H,9-11H2
InChIKeyBDHSVQLSNIGJNC-UHFFFAOYSA-N
XLogP3.57
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-ylmethyl)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole with MolForge

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Related Compounds

(+)-2,2'-Methylenebis((3aR,8aS)-3a,8a-dihydro-8H-indeno(1,2-d)oxazole)
CID 1268099
(-)-2,2'-Methylenebis[(3aS,8aR)-3a,8a-dihydro-8H-indeno[1,2-d]oxazole]
CID 11024010
(3aS,3a'S,8aR,8a'R)-2,2'-(1,3-Bis(3,5-di-t-butylphenyl)propane-2,2-diyl)bis(8,8a-dihydro-3aH-indeno(1,2-d)oxazole) (S,R)
CID 71739082
(3aS,8aR)-2-[2,2-Bis[(S)-4-isopropyl-4,5-dihydro-2-oxazolyl]propyl]-8,8a-dihydro-3aH-indeno[1,2-d]ox
CID 11384701
(3aR,3a'R,8aS,8a'S)-2,2'-(Cyclopropane-1,1-diyl)bis(8,8a-dihydro-3aH-indeno[1,2-d]oxazole)
CID 11245230
(3aR,8bS)-2-[2-[(3aR,8bS)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-yl]-1,3-bis(4-fluorophenyl)propan-2-yl]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole
CID 175640384
2-[[(3aR,8bS)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-yl]methyl]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole
CID 2818137
(3aS,3a'S,8aR,8a'R)-2,2'-(Cyclopropane-1,1-diyl)bis(8,8a-dihydro-3aH-indeno[1,2-d]oxazole)
CID 9850233
(3aS,3'aS,8aR,8'aR)-2,2'-(1-Methylethylidene)bis[3a,8a-dihydro-8H-Indeno[1,2-d]oxazole
CID 11068314
(3aR,3'aR,8aS,8'aS)-2,2'-(1-Methylethylidene)bis[3a,8a-dihydro-8H-indeno[1,2-d]oxazole]
CID 11222079
(4aR,9aS)-3-methoxy-2,4a,9,9a-tetrahydroindeno[2,1-b][1,4]oxazine
CID 11460495
(3aS,3a'S,8aR,8a'R)-2,2'-(Cyclopentane-1,1-diyl)bis(8,8a-dihydro-3aH-indeno[1,2-d]oxazole)
CID 15309103

Frequently Asked Questions

What is the IUPAC name of 2-(4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-ylmethyl)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole?
The IUPAC name of 2-(4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-ylmethyl)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole (CID 3619573) is 2-(4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-ylmethyl)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole.
What is the SMILES notation for 2-(4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-ylmethyl)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole?
The canonical SMILES for 2-(4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-ylmethyl)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole is c1ccc2c(c1)CC1OC(CC3=NC4c5ccccc5CC4O3)=NC21.
What is the InChIKey of 2-(4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-ylmethyl)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole?
The InChIKey is BDHSVQLSNIGJNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O2/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/h1-8,16-17,20-21H,9-11H2.
What are the key properties of 2-(4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-ylmethyl)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole?
2-(4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-ylmethyl)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole has a molecular weight of 330.39 g/mol, XLogP of 3.57, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-ylmethyl)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole is sourced from PubChem (CID 3619573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).