(2S,3aS,7aS)-2-methyl-6-[(5-methyl-1,2-oxazol-3-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine

C13H20N2O2 — CID 97392601

IUPAC(2S,3aS,7aS)-2-methyl-6-[(5-methyl-1,2-oxazol-3-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine
SMILESCc1cc(CN2CC[C@H]3C[C@H](C)O[C@@H]3C2)no1
InChIInChI=1S/C13H20N2O2/c1-9-5-11-3-4-15(8-13(11)16-9)7-12-6-10(2)17-14-12/h6,9,11,13H,3-5,7-8H2,1-2H3/t9-,11-,13+/m0/s1
InChIKeyYOSCCNPKSOEWCJ-XHVZSJERSA-N
MW236.31 g/mol
LogP1.98
Rot. Bonds2

About (2S,3aS,7aS)-2-methyl-6-[(5-methyl-1,2-oxazol-3-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine

(2S,3aS,7aS)-2-methyl-6-[(5-methyl-1,2-oxazol-3-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine (PubChem CID 97392601) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is (2S,3aS,7aS)-2-methyl-6-[(5-methyl-1,2-oxazol-3-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine.

Molecular Properties

Compound Name(2S,3aS,7aS)-2-methyl-6-[(5-methyl-1,2-oxazol-3-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine
PubChem CID97392601
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name(2S,3aS,7aS)-2-methyl-6-[(5-methyl-1,2-oxazol-3-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine
SMILESCc1cc(CN2CC[C@H]3C[C@H](C)O[C@@H]3C2)no1
InChIInChI=1S/C13H20N2O2/c1-9-5-11-3-4-15(8-13(11)16-9)7-12-6-10(2)17-14-12/h6,9,11,13H,3-5,7-8H2,1-2H3/t9-,11-,13+/m0/s1
InChIKeyYOSCCNPKSOEWCJ-XHVZSJERSA-N
XLogP1.98
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 ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2S,3aS,7aS)-2-methyl-6-[(5-methyl-1,2-oxazol-3-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S,3aS,7aS)-2-methyl-6-[(5-methyl-1,2-oxazol-3-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine?
The IUPAC name of (2S,3aS,7aS)-2-methyl-6-[(5-methyl-1,2-oxazol-3-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine (CID 97392601) is (2S,3aS,7aS)-2-methyl-6-[(5-methyl-1,2-oxazol-3-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine.
What is the SMILES notation for (2S,3aS,7aS)-2-methyl-6-[(5-methyl-1,2-oxazol-3-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine?
The canonical SMILES for (2S,3aS,7aS)-2-methyl-6-[(5-methyl-1,2-oxazol-3-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine is Cc1cc(CN2CC[C@H]3C[C@H](C)O[C@@H]3C2)no1.
What is the InChIKey of (2S,3aS,7aS)-2-methyl-6-[(5-methyl-1,2-oxazol-3-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine?
The InChIKey is YOSCCNPKSOEWCJ-XHVZSJERSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-9-5-11-3-4-15(8-13(11)16-9)7-12-6-10(2)17-14-12/h6,9,11,13H,3-5,7-8H2,1-2H3/t9-,11-,13+/m0/s1.
What are the key properties of (2S,3aS,7aS)-2-methyl-6-[(5-methyl-1,2-oxazol-3-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine?
(2S,3aS,7aS)-2-methyl-6-[(5-methyl-1,2-oxazol-3-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine has a molecular weight of 236.31 g/mol, XLogP of 1.98, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3aS,7aS)-2-methyl-6-[(5-methyl-1,2-oxazol-3-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine is sourced from PubChem (CID 97392601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).