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

C15H21N5O2 — CID 97369633

IUPAC(2R,3aS,7aS)-6-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-(5-methyl-1H-1,2,4-triazol-3-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine
SMILESCc1nc([C@H]2C[C@@H]3CCN(Cc4cc(C)on4)C[C@H]3O2)n[nH]1
InChIInChI=1S/C15H21N5O2/c1-9-5-12(19-22-9)7-20-4-3-11-6-13(21-14(11)8-20)15-16-10(2)17-18-15/h5,11,13-14H,3-4,6-8H2,1-2H3,(H,16,17,18)/t11-,13+,14+/m0/s1
InChIKeyVXILHIAPTDGZRY-IACUBPJLSA-N
MW303.37 g/mol
LogP1.76
Rot. Bonds3

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

(2R,3aS,7aS)-6-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-(5-methyl-1H-1,2,4-triazol-3-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine (PubChem CID 97369633) has the molecular formula C15H21N5O2 and a molecular weight of 303.37 g/mol. Its IUPAC name is (2R,3aS,7aS)-6-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-(5-methyl-1H-1,2,4-triazol-3-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine.

Molecular Properties

Compound Name(2R,3aS,7aS)-6-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-(5-methyl-1H-1,2,4-triazol-3-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine
PubChem CID97369633
Molecular FormulaC15H21N5O2
Molecular Weight303.37 g/mol
Exact Mass303.17
IUPAC Name(2R,3aS,7aS)-6-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-(5-methyl-1H-1,2,4-triazol-3-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine
SMILESCc1nc([C@H]2C[C@@H]3CCN(Cc4cc(C)on4)C[C@H]3O2)n[nH]1
InChIInChI=1S/C15H21N5O2/c1-9-5-12(19-22-9)7-20-4-3-11-6-13(21-14(11)8-20)15-16-10(2)17-18-15/h5,11,13-14H,3-4,6-8H2,1-2H3,(H,16,17,18)/t11-,13+,14+/m0/s1
InChIKeyVXILHIAPTDGZRY-IACUBPJLSA-N
XLogP1.76
TPSA80.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Frequently Asked Questions

What is the IUPAC name of (2R,3aS,7aS)-6-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-(5-methyl-1H-1,2,4-triazol-3-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine?
The IUPAC name of (2R,3aS,7aS)-6-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-(5-methyl-1H-1,2,4-triazol-3-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine (CID 97369633) is (2R,3aS,7aS)-6-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-(5-methyl-1H-1,2,4-triazol-3-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine.
What is the SMILES notation for (2R,3aS,7aS)-6-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-(5-methyl-1H-1,2,4-triazol-3-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine?
The canonical SMILES for (2R,3aS,7aS)-6-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-(5-methyl-1H-1,2,4-triazol-3-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine is Cc1nc([C@H]2C[C@@H]3CCN(Cc4cc(C)on4)C[C@H]3O2)n[nH]1.
What is the InChIKey of (2R,3aS,7aS)-6-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-(5-methyl-1H-1,2,4-triazol-3-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine?
The InChIKey is VXILHIAPTDGZRY-IACUBPJLSA-N. The full InChI is InChI=1S/C15H21N5O2/c1-9-5-12(19-22-9)7-20-4-3-11-6-13(21-14(11)8-20)15-16-10(2)17-18-15/h5,11,13-14H,3-4,6-8H2,1-2H3,(H,16,17,18)/t11-,13+,14+/m0/s1.
What are the key properties of (2R,3aS,7aS)-6-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-(5-methyl-1H-1,2,4-triazol-3-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine?
(2R,3aS,7aS)-6-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-(5-methyl-1H-1,2,4-triazol-3-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine has a molecular weight of 303.37 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3aS,7aS)-6-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-(5-methyl-1H-1,2,4-triazol-3-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine is sourced from PubChem (CID 97369633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).