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

C17H27N3O4 — CID 97362715

IUPAC(3aR,7aR)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(2-methoxyethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide
SMILESCOCCNC(=O)[C@@]12CCO[C@@H]1CCN(Cc1c(C)noc1C)C2
InChIInChI=1S/C17H27N3O4/c1-12-14(13(2)24-19-12)10-20-7-4-15-17(11-20,5-8-23-15)16(21)18-6-9-22-3/h15H,4-11H2,1-3H3,(H,18,21)/t15-,17-/m1/s1
InChIKeyNGJUAROKDCMHBS-NVXWUHKLSA-N
MW337.42 g/mol
LogP1.04
Rot. Bonds6

About (3aR,7aR)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(2-methoxyethyl)-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-(2-methoxyethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide (PubChem CID 97362715) has the molecular formula C17H27N3O4 and a molecular weight of 337.42 g/mol. Its IUPAC name is (3aR,7aR)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(2-methoxyethyl)-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-(2-methoxyethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide
PubChem CID97362715
Molecular FormulaC17H27N3O4
Molecular Weight337.42 g/mol
Exact Mass337.20
IUPAC Name(3aR,7aR)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(2-methoxyethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide
SMILESCOCCNC(=O)[C@@]12CCO[C@@H]1CCN(Cc1c(C)noc1C)C2
InChIInChI=1S/C17H27N3O4/c1-12-14(13(2)24-19-12)10-20-7-4-15-17(11-20,5-8-23-15)16(21)18-6-9-22-3/h15H,4-11H2,1-3H3,(H,18,21)/t15-,17-/m1/s1
InChIKeyNGJUAROKDCMHBS-NVXWUHKLSA-N
XLogP1.04
TPSA76.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (3aR,7aR)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(2-methoxyethyl)-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-(2-methoxyethyl)-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-(2-methoxyethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide (CID 97362715) is (3aR,7aR)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(2-methoxyethyl)-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-(2-methoxyethyl)-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-(2-methoxyethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide is COCCNC(=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-(2-methoxyethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide?
The InChIKey is NGJUAROKDCMHBS-NVXWUHKLSA-N. The full InChI is InChI=1S/C17H27N3O4/c1-12-14(13(2)24-19-12)10-20-7-4-15-17(11-20,5-8-23-15)16(21)18-6-9-22-3/h15H,4-11H2,1-3H3,(H,18,21)/t15-,17-/m1/s1.
What are the key properties of (3aR,7aR)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(2-methoxyethyl)-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-(2-methoxyethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide has a molecular weight of 337.42 g/mol, XLogP of 1.04, 6 rotatable bonds, 1 hydrogen bond donors, and 6 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-(2-methoxyethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide is sourced from PubChem (CID 97362715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).