(2R,3aS,7aS)-2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-5-(oxan-4-ylmethyl)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine

C18H27N3O3 — CID 97392576

IUPAC(2R,3aS,7aS)-2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-5-(oxan-4-ylmethyl)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine
SMILESC1CC(CN2CC[C@@H]3O[C@@H](c4nnc(C5CC5)o4)C[C@H]3C2)CCO1
InChIInChI=1S/C18H27N3O3/c1-2-13(1)17-19-20-18(24-17)16-9-14-11-21(6-3-15(14)23-16)10-12-4-7-22-8-5-12/h12-16H,1-11H2/t14-,15-,16+/m0/s1
InChIKeyDPZVASSNVOMYQJ-HRCADAONSA-N
MW333.43 g/mol
LogP2.53
Rot. Bonds4

About (2R,3aS,7aS)-2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-5-(oxan-4-ylmethyl)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine

(2R,3aS,7aS)-2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-5-(oxan-4-ylmethyl)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine (PubChem CID 97392576) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is (2R,3aS,7aS)-2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-5-(oxan-4-ylmethyl)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine.

Molecular Properties

Compound Name(2R,3aS,7aS)-2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-5-(oxan-4-ylmethyl)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine
PubChem CID97392576
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC Name(2R,3aS,7aS)-2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-5-(oxan-4-ylmethyl)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine
SMILESC1CC(CN2CC[C@@H]3O[C@@H](c4nnc(C5CC5)o4)C[C@H]3C2)CCO1
InChIInChI=1S/C18H27N3O3/c1-2-13(1)17-19-20-18(24-17)16-9-14-11-21(6-3-15(14)23-16)10-12-4-7-22-8-5-12/h12-16H,1-11H2/t14-,15-,16+/m0/s1
InChIKeyDPZVASSNVOMYQJ-HRCADAONSA-N
XLogP2.53
TPSA60.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (2R,3aS,7aS)-2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-5-(oxan-4-ylmethyl)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R,3aS,7aS)-2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-5-(oxan-4-ylmethyl)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine?
The IUPAC name of (2R,3aS,7aS)-2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-5-(oxan-4-ylmethyl)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine (CID 97392576) is (2R,3aS,7aS)-2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-5-(oxan-4-ylmethyl)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine.
What is the SMILES notation for (2R,3aS,7aS)-2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-5-(oxan-4-ylmethyl)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine?
The canonical SMILES for (2R,3aS,7aS)-2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-5-(oxan-4-ylmethyl)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine is C1CC(CN2CC[C@@H]3O[C@@H](c4nnc(C5CC5)o4)C[C@H]3C2)CCO1.
What is the InChIKey of (2R,3aS,7aS)-2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-5-(oxan-4-ylmethyl)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine?
The InChIKey is DPZVASSNVOMYQJ-HRCADAONSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-2-13(1)17-19-20-18(24-17)16-9-14-11-21(6-3-15(14)23-16)10-12-4-7-22-8-5-12/h12-16H,1-11H2/t14-,15-,16+/m0/s1.
What are the key properties of (2R,3aS,7aS)-2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-5-(oxan-4-ylmethyl)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine?
(2R,3aS,7aS)-2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-5-(oxan-4-ylmethyl)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine has a molecular weight of 333.43 g/mol, XLogP of 2.53, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3aS,7aS)-2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-5-(oxan-4-ylmethyl)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine is sourced from PubChem (CID 97392576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).