(3aR,7aR)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide

C15H23N3O3 — CID 97362774

IUPAC(3aR,7aR)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide
SMILESCNC(=O)[C@@]12CCO[C@@H]1CCN(Cc1c(C)noc1C)C2
InChIInChI=1S/C15H23N3O3/c1-10-12(11(2)21-17-10)8-18-6-4-13-15(9-18,5-7-20-13)14(19)16-3/h13H,4-9H2,1-3H3,(H,16,19)/t13-,15-/m1/s1
InChIKeyIHTKBXJQUPBJLU-UKRRQHHQSA-N
MW293.37 g/mol
LogP1.02
Rot. Bonds3

About (3aR,7aR)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide

(3aR,7aR)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide (PubChem CID 97362774) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is (3aR,7aR)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide.

Molecular Properties

Compound Name(3aR,7aR)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide
PubChem CID97362774
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name(3aR,7aR)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide
SMILESCNC(=O)[C@@]12CCO[C@@H]1CCN(Cc1c(C)noc1C)C2
InChIInChI=1S/C15H23N3O3/c1-10-12(11(2)21-17-10)8-18-6-4-13-15(9-18,5-7-20-13)14(19)16-3/h13H,4-9H2,1-3H3,(H,16,19)/t13-,15-/m1/s1
InChIKeyIHTKBXJQUPBJLU-UKRRQHHQSA-N
XLogP1.02
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3aR,7aR)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3aR,7aR)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide?
The IUPAC name of (3aR,7aR)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide (CID 97362774) is (3aR,7aR)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide.
What is the SMILES notation for (3aR,7aR)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide?
The canonical SMILES for (3aR,7aR)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide is CNC(=O)[C@@]12CCO[C@@H]1CCN(Cc1c(C)noc1C)C2.
What is the InChIKey of (3aR,7aR)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide?
The InChIKey is IHTKBXJQUPBJLU-UKRRQHHQSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-10-12(11(2)21-17-10)8-18-6-4-13-15(9-18,5-7-20-13)14(19)16-3/h13H,4-9H2,1-3H3,(H,16,19)/t13-,15-/m1/s1.
What are the key properties of (3aR,7aR)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide?
(3aR,7aR)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide has a molecular weight of 293.37 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,7aR)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide is sourced from PubChem (CID 97362774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).