(2R,3aS,6aS)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole

C13H20N2O2 — CID 97369161

IUPAC(2R,3aS,6aS)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole
SMILESCc1noc(C)c1CN1C[C@@H]2C[C@@H](C)O[C@@H]2C1
InChIInChI=1S/C13H20N2O2/c1-8-4-11-5-15(7-13(11)16-8)6-12-9(2)14-17-10(12)3/h8,11,13H,4-7H2,1-3H3/t8-,11+,13-/m1/s1
InChIKeySTALNTXLVYRUKX-YDEJPDAXSA-N
MW236.31 g/mol
LogP1.90
Rot. Bonds2

About (2R,3aS,6aS)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole

(2R,3aS,6aS)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole (PubChem CID 97369161) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is (2R,3aS,6aS)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole.

Molecular Properties

Compound Name(2R,3aS,6aS)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole
PubChem CID97369161
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name(2R,3aS,6aS)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole
SMILESCc1noc(C)c1CN1C[C@@H]2C[C@@H](C)O[C@@H]2C1
InChIInChI=1S/C13H20N2O2/c1-8-4-11-5-15(7-13(11)16-8)6-12-9(2)14-17-10(12)3/h8,11,13H,4-7H2,1-3H3/t8-,11+,13-/m1/s1
InChIKeySTALNTXLVYRUKX-YDEJPDAXSA-N
XLogP1.90
TPSA38.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2R,3aS,6aS)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R,3aS,6aS)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole?
The IUPAC name of (2R,3aS,6aS)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole (CID 97369161) is (2R,3aS,6aS)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole.
What is the SMILES notation for (2R,3aS,6aS)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole?
The canonical SMILES for (2R,3aS,6aS)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole is Cc1noc(C)c1CN1C[C@@H]2C[C@@H](C)O[C@@H]2C1.
What is the InChIKey of (2R,3aS,6aS)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole?
The InChIKey is STALNTXLVYRUKX-YDEJPDAXSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-8-4-11-5-15(7-13(11)16-8)6-12-9(2)14-17-10(12)3/h8,11,13H,4-7H2,1-3H3/t8-,11+,13-/m1/s1.
What are the key properties of (2R,3aS,6aS)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole?
(2R,3aS,6aS)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole has a molecular weight of 236.31 g/mol, XLogP of 1.90, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3aS,6aS)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole is sourced from PubChem (CID 97369161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).