(3aR,7S,7aS)-2-(furan-3-ylmethyl)-7-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole

C16H21N3O3 — CID 97379962

IUPAC(3aR,7S,7aS)-2-(furan-3-ylmethyl)-7-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole
SMILESCc1noc(C[C@@H]2COC[C@H]3CN(Cc4ccoc4)C[C@@H]23)n1
InChIInChI=1S/C16H21N3O3/c1-11-17-16(22-18-11)4-13-9-21-10-14-6-19(7-15(13)14)5-12-2-3-20-8-12/h2-3,8,13-15H,4-7,9-10H2,1H3/t13-,14-,15+/m1/s1
InChIKeyOIHYUEQGLGCJJQ-KFWWJZLASA-N
MW303.36 g/mol
LogP1.91
Rot. Bonds4

About (3aR,7S,7aS)-2-(furan-3-ylmethyl)-7-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole

(3aR,7S,7aS)-2-(furan-3-ylmethyl)-7-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole (PubChem CID 97379962) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is (3aR,7S,7aS)-2-(furan-3-ylmethyl)-7-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole.

Molecular Properties

Compound Name(3aR,7S,7aS)-2-(furan-3-ylmethyl)-7-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole
PubChem CID97379962
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Name(3aR,7S,7aS)-2-(furan-3-ylmethyl)-7-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole
SMILESCc1noc(C[C@@H]2COC[C@H]3CN(Cc4ccoc4)C[C@@H]23)n1
InChIInChI=1S/C16H21N3O3/c1-11-17-16(22-18-11)4-13-9-21-10-14-6-19(7-15(13)14)5-12-2-3-20-8-12/h2-3,8,13-15H,4-7,9-10H2,1H3/t13-,14-,15+/m1/s1
InChIKeyOIHYUEQGLGCJJQ-KFWWJZLASA-N
XLogP1.91
TPSA64.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (3aR,7S,7aS)-2-(furan-3-ylmethyl)-7-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3aR,7S,7aS)-2-(furan-3-ylmethyl)-7-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole?
The IUPAC name of (3aR,7S,7aS)-2-(furan-3-ylmethyl)-7-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole (CID 97379962) is (3aR,7S,7aS)-2-(furan-3-ylmethyl)-7-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole.
What is the SMILES notation for (3aR,7S,7aS)-2-(furan-3-ylmethyl)-7-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole?
The canonical SMILES for (3aR,7S,7aS)-2-(furan-3-ylmethyl)-7-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole is Cc1noc(C[C@@H]2COC[C@H]3CN(Cc4ccoc4)C[C@@H]23)n1.
What is the InChIKey of (3aR,7S,7aS)-2-(furan-3-ylmethyl)-7-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole?
The InChIKey is OIHYUEQGLGCJJQ-KFWWJZLASA-N. The full InChI is InChI=1S/C16H21N3O3/c1-11-17-16(22-18-11)4-13-9-21-10-14-6-19(7-15(13)14)5-12-2-3-20-8-12/h2-3,8,13-15H,4-7,9-10H2,1H3/t13-,14-,15+/m1/s1.
What are the key properties of (3aR,7S,7aS)-2-(furan-3-ylmethyl)-7-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole?
(3aR,7S,7aS)-2-(furan-3-ylmethyl)-7-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole has a molecular weight of 303.36 g/mol, XLogP of 1.91, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,7S,7aS)-2-(furan-3-ylmethyl)-7-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole is sourced from PubChem (CID 97379962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).