(3aS,8bR)-2-[1-[(3aS,8bR)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-yl]cyclobutyl]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole

C24H22N2O2 — CID 146013168

IUPAC(3aS,8bR)-2-[1-[(3aS,8bR)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-yl]cyclobutyl]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole
SMILESc1ccc2c(c1)C[C@@H]1OC(C3(C4=N[C@@H]5c6ccccc6C[C@@H]5O4)CCC3)=N[C@H]21
InChIInChI=1S/C24H22N2O2/c1-3-8-16-14(6-1)12-18-20(16)25-22(27-18)24(10-5-11-24)23-26-21-17-9-4-2-7-15(17)13-19(21)28-23/h1-4,6-9,18-21H,5,10-13H2/t18-,19-,20+,21+/m0/s1
InChIKeyDPPQMGTZLCMJSM-UWHLTILDSA-N
MW370.45 g/mol
LogP4.35
Rot. Bonds2

About (3aS,8bR)-2-[1-[(3aS,8bR)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-yl]cyclobutyl]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole

(3aS,8bR)-2-[1-[(3aS,8bR)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-yl]cyclobutyl]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole (PubChem CID 146013168) has the molecular formula C24H22N2O2 and a molecular weight of 370.45 g/mol. Its IUPAC name is (3aS,8bR)-2-[1-[(3aS,8bR)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-yl]cyclobutyl]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole.

Molecular Properties

Compound Name(3aS,8bR)-2-[1-[(3aS,8bR)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-yl]cyclobutyl]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole
PubChem CID146013168
Molecular FormulaC24H22N2O2
Molecular Weight370.45 g/mol
Exact Mass370.17
IUPAC Name(3aS,8bR)-2-[1-[(3aS,8bR)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-yl]cyclobutyl]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole
SMILESc1ccc2c(c1)C[C@@H]1OC(C3(C4=N[C@@H]5c6ccccc6C[C@@H]5O4)CCC3)=N[C@H]21
InChIInChI=1S/C24H22N2O2/c1-3-8-16-14(6-1)12-18-20(16)25-22(27-18)24(10-5-11-24)23-26-21-17-9-4-2-7-15(17)13-19(21)28-23/h1-4,6-9,18-21H,5,10-13H2/t18-,19-,20+,21+/m0/s1
InChIKeyDPPQMGTZLCMJSM-UWHLTILDSA-N
XLogP4.35
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

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Frequently Asked Questions

What is the IUPAC name of (3aS,8bR)-2-[1-[(3aS,8bR)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-yl]cyclobutyl]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole?
The IUPAC name of (3aS,8bR)-2-[1-[(3aS,8bR)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-yl]cyclobutyl]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole (CID 146013168) is (3aS,8bR)-2-[1-[(3aS,8bR)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-yl]cyclobutyl]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole.
What is the SMILES notation for (3aS,8bR)-2-[1-[(3aS,8bR)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-yl]cyclobutyl]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole?
The canonical SMILES for (3aS,8bR)-2-[1-[(3aS,8bR)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-yl]cyclobutyl]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole is c1ccc2c(c1)C[C@@H]1OC(C3(C4=N[C@@H]5c6ccccc6C[C@@H]5O4)CCC3)=N[C@H]21.
What is the InChIKey of (3aS,8bR)-2-[1-[(3aS,8bR)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-yl]cyclobutyl]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole?
The InChIKey is DPPQMGTZLCMJSM-UWHLTILDSA-N. The full InChI is InChI=1S/C24H22N2O2/c1-3-8-16-14(6-1)12-18-20(16)25-22(27-18)24(10-5-11-24)23-26-21-17-9-4-2-7-15(17)13-19(21)28-23/h1-4,6-9,18-21H,5,10-13H2/t18-,19-,20+,21+/m0/s1.
What are the key properties of (3aS,8bR)-2-[1-[(3aS,8bR)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-yl]cyclobutyl]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole?
(3aS,8bR)-2-[1-[(3aS,8bR)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-yl]cyclobutyl]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole has a molecular weight of 370.45 g/mol, XLogP of 4.35, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,8bR)-2-[1-[(3aS,8bR)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-yl]cyclobutyl]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole is sourced from PubChem (CID 146013168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).