(3aS,6R)-3,3,3'-trimethylspiro[4,5-dihydro-3aH-cyclopenta[c][1,2]oxazole-6,7'-5,6-dihydro-4H-2,1-benzoxazole]

C15H20N2O2 — CID 16051679

IUPAC(3aS,6R)-3,3,3'-trimethylspiro[4,5-dihydro-3aH-cyclopenta[c][1,2]oxazole-6,7'-5,6-dihydro-4H-2,1-benzoxazole]
SMILESCC1=C2CCC[C@@]3(C2=NO1)CC[C@H]4C3=NOC4(C)C
InChIInChI=1S/C15H20N2O2/c1-9-10-5-4-7-15(12(10)16-18-9)8-6-11-13(15)17-19-14(11,2)3/h11H,4-8H2,1-3H3/t11-,15-/m0/s1
InChIKeyAIOOSKKEFZXBDV-NHYWBVRUSA-N
MW260.33 g/mol
LogP2.50
Rot. Bonds

About (3aS,6R)-3,3,3'-trimethylspiro[4,5-dihydro-3aH-cyclopenta[c][1,2]oxazole-6,7'-5,6-dihydro-4H-2,1-benzoxazole]

(3aS,6R)-3,3,3'-trimethylspiro[4,5-dihydro-3aH-cyclopenta[c][1,2]oxazole-6,7'-5,6-dihydro-4H-2,1-benzoxazole] (PubChem CID 16051679) has the molecular formula C15H20N2O2 and a molecular weight of 260.33 g/mol. Its IUPAC name is (3aS,6R)-3,3,3'-trimethylspiro[4,5-dihydro-3aH-cyclopenta[c][1,2]oxazole-6,7'-5,6-dihydro-4H-2,1-benzoxazole].

Molecular Properties

Compound Name(3aS,6R)-3,3,3'-trimethylspiro[4,5-dihydro-3aH-cyclopenta[c][1,2]oxazole-6,7'-5,6-dihydro-4H-2,1-benzoxazole]
PubChem CID16051679
Molecular FormulaC15H20N2O2
Molecular Weight260.33 g/mol
Exact Mass260.15
IUPAC Name(3aS,6R)-3,3,3'-trimethylspiro[4,5-dihydro-3aH-cyclopenta[c][1,2]oxazole-6,7'-5,6-dihydro-4H-2,1-benzoxazole]
SMILESCC1=C2CCC[C@@]3(C2=NO1)CC[C@H]4C3=NOC4(C)C
InChIInChI=1S/C15H20N2O2/c1-9-10-5-4-7-15(12(10)16-18-9)8-6-11-13(15)17-19-14(11,2)3/h11H,4-8H2,1-3H3/t11-,15-/m0/s1
InChIKeyAIOOSKKEFZXBDV-NHYWBVRUSA-N
XLogP2.50
TPSA47.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity434

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3aS,6R)-3,3,3'-trimethylspiro[4,5-dihydro-3aH-cyclopenta[c][1,2]oxazole-6,7'-5,6-dihydro-4H-2,1-benzoxazole] with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3aS,6R)-3,3,3'-trimethylspiro[4,5-dihydro-3aH-cyclopenta[c][1,2]oxazole-6,7'-5,6-dihydro-4H-2,1-benzoxazole]?
The IUPAC name of (3aS,6R)-3,3,3'-trimethylspiro[4,5-dihydro-3aH-cyclopenta[c][1,2]oxazole-6,7'-5,6-dihydro-4H-2,1-benzoxazole] (CID 16051679) is (3aS,6R)-3,3,3'-trimethylspiro[4,5-dihydro-3aH-cyclopenta[c][1,2]oxazole-6,7'-5,6-dihydro-4H-2,1-benzoxazole].
What is the SMILES notation for (3aS,6R)-3,3,3'-trimethylspiro[4,5-dihydro-3aH-cyclopenta[c][1,2]oxazole-6,7'-5,6-dihydro-4H-2,1-benzoxazole]?
The canonical SMILES for (3aS,6R)-3,3,3'-trimethylspiro[4,5-dihydro-3aH-cyclopenta[c][1,2]oxazole-6,7'-5,6-dihydro-4H-2,1-benzoxazole] is CC1=C2CCC[C@@]3(C2=NO1)CC[C@H]4C3=NOC4(C)C.
What is the InChIKey of (3aS,6R)-3,3,3'-trimethylspiro[4,5-dihydro-3aH-cyclopenta[c][1,2]oxazole-6,7'-5,6-dihydro-4H-2,1-benzoxazole]?
The InChIKey is AIOOSKKEFZXBDV-NHYWBVRUSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-9-10-5-4-7-15(12(10)16-18-9)8-6-11-13(15)17-19-14(11,2)3/h11H,4-8H2,1-3H3/t11-,15-/m0/s1.
What are the key properties of (3aS,6R)-3,3,3'-trimethylspiro[4,5-dihydro-3aH-cyclopenta[c][1,2]oxazole-6,7'-5,6-dihydro-4H-2,1-benzoxazole]?
(3aS,6R)-3,3,3'-trimethylspiro[4,5-dihydro-3aH-cyclopenta[c][1,2]oxazole-6,7'-5,6-dihydro-4H-2,1-benzoxazole] has a molecular weight of 260.33 g/mol, XLogP of 2.50, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,6R)-3,3,3'-trimethylspiro[4,5-dihydro-3aH-cyclopenta[c][1,2]oxazole-6,7'-5,6-dihydro-4H-2,1-benzoxazole] is sourced from PubChem (CID 16051679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).