(3aR,6S,7aR)-6-(3-methyl-1,2,4-oxadiazol-5-yl)-4-[(1-methylpyrazol-4-yl)methyl]-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine

C15H21N5O2 — CID 97365069

IUPAC(3aR,6S,7aR)-6-(3-methyl-1,2,4-oxadiazol-5-yl)-4-[(1-methylpyrazol-4-yl)methyl]-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine
SMILESCc1noc([C@H]2C[C@H]3OCC[C@H]3N(Cc3cnn(C)c3)C2)n1
InChIInChI=1S/C15H21N5O2/c1-10-17-15(22-18-10)12-5-14-13(3-4-21-14)20(9-12)8-11-6-16-19(2)7-11/h6-7,12-14H,3-5,8-9H2,1-2H3/t12-,13+,14+/m0/s1
InChIKeyIPODHJLXPWESLZ-BFHYXJOUSA-N
MW303.37 g/mol
LogP1.26
Rot. Bonds3

About (3aR,6S,7aR)-6-(3-methyl-1,2,4-oxadiazol-5-yl)-4-[(1-methylpyrazol-4-yl)methyl]-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine

(3aR,6S,7aR)-6-(3-methyl-1,2,4-oxadiazol-5-yl)-4-[(1-methylpyrazol-4-yl)methyl]-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine (PubChem CID 97365069) has the molecular formula C15H21N5O2 and a molecular weight of 303.37 g/mol. Its IUPAC name is (3aR,6S,7aR)-6-(3-methyl-1,2,4-oxadiazol-5-yl)-4-[(1-methylpyrazol-4-yl)methyl]-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine.

Molecular Properties

Compound Name(3aR,6S,7aR)-6-(3-methyl-1,2,4-oxadiazol-5-yl)-4-[(1-methylpyrazol-4-yl)methyl]-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine
PubChem CID97365069
Molecular FormulaC15H21N5O2
Molecular Weight303.37 g/mol
Exact Mass303.17
IUPAC Name(3aR,6S,7aR)-6-(3-methyl-1,2,4-oxadiazol-5-yl)-4-[(1-methylpyrazol-4-yl)methyl]-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine
SMILESCc1noc([C@H]2C[C@H]3OCC[C@H]3N(Cc3cnn(C)c3)C2)n1
InChIInChI=1S/C15H21N5O2/c1-10-17-15(22-18-10)12-5-14-13(3-4-21-14)20(9-12)8-11-6-16-19(2)7-11/h6-7,12-14H,3-5,8-9H2,1-2H3/t12-,13+,14+/m0/s1
InChIKeyIPODHJLXPWESLZ-BFHYXJOUSA-N
XLogP1.26
TPSA69.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (3aR,6S,7aR)-6-(3-methyl-1,2,4-oxadiazol-5-yl)-4-[(1-methylpyrazol-4-yl)methyl]-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine with MolForge

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Related Compounds

(3aR,6R,7aR)-4-(5-fluoropyrimidin-2-yl)-6-(3-methyl-1,2,4-oxadiazol-5-yl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine
CID 97387347
(3aR,6S,7aR)-4-(5-fluoropyrimidin-2-yl)-6-(3-methyl-1,2,4-oxadiazol-5-yl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine
CID 97388019
(3aS,6S,7aS)-4-(5-fluoropyrimidin-2-yl)-6-(3-methyl-1,2,4-oxadiazol-5-yl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine
CID 133140678
(3aR,5R,7aR)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-1-[(1-methylpyrazol-4-yl)methyl]-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole;2,2,2-trifluoroacetic acid
CID 155840698
(3aR,5S,7aR)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-1-[(1-methylpyrazol-4-yl)methyl]-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole;2,2,2-trifluoroacetic acid
CID 155845784
(3aR,6R,7aR)-6-(3-methyl-1,2,4-oxadiazol-5-yl)-4-[(1-methylpyrazol-4-yl)methyl]-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine;2,2,2-trifluoroacetic acid
CID 155854187
(3aR,6S,7aR)-6-(3-methyl-1,2,4-oxadiazol-5-yl)-4-[(1-methylpyrazol-4-yl)methyl]-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine;2,2,2-trifluoroacetic acid
CID 155859506
(2R,3aS,7aS)-2-(5-methyl-1,2,4-oxadiazol-3-yl)-6-[(1-methylpyrazol-4-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine
CID 97369591
(2S,3aS,7aS)-2-(5-methyl-1,2,4-oxadiazol-3-yl)-6-[(1-methylpyrazol-4-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine
CID 97369791
(3aR,7S,7aS)-7-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-[(1-methylpyrazol-4-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole
CID 97379964
(3aR,5S,7aR)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-1-[(1-methylpyrazol-4-yl)methyl]-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole
CID 97380062
(3aR,5R,7aR)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-1-[(1-methylpyrazol-4-yl)methyl]-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole
CID 97380220

Frequently Asked Questions

What is the IUPAC name of (3aR,6S,7aR)-6-(3-methyl-1,2,4-oxadiazol-5-yl)-4-[(1-methylpyrazol-4-yl)methyl]-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine?
The IUPAC name of (3aR,6S,7aR)-6-(3-methyl-1,2,4-oxadiazol-5-yl)-4-[(1-methylpyrazol-4-yl)methyl]-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine (CID 97365069) is (3aR,6S,7aR)-6-(3-methyl-1,2,4-oxadiazol-5-yl)-4-[(1-methylpyrazol-4-yl)methyl]-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine.
What is the SMILES notation for (3aR,6S,7aR)-6-(3-methyl-1,2,4-oxadiazol-5-yl)-4-[(1-methylpyrazol-4-yl)methyl]-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine?
The canonical SMILES for (3aR,6S,7aR)-6-(3-methyl-1,2,4-oxadiazol-5-yl)-4-[(1-methylpyrazol-4-yl)methyl]-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine is Cc1noc([C@H]2C[C@H]3OCC[C@H]3N(Cc3cnn(C)c3)C2)n1.
What is the InChIKey of (3aR,6S,7aR)-6-(3-methyl-1,2,4-oxadiazol-5-yl)-4-[(1-methylpyrazol-4-yl)methyl]-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine?
The InChIKey is IPODHJLXPWESLZ-BFHYXJOUSA-N. The full InChI is InChI=1S/C15H21N5O2/c1-10-17-15(22-18-10)12-5-14-13(3-4-21-14)20(9-12)8-11-6-16-19(2)7-11/h6-7,12-14H,3-5,8-9H2,1-2H3/t12-,13+,14+/m0/s1.
What are the key properties of (3aR,6S,7aR)-6-(3-methyl-1,2,4-oxadiazol-5-yl)-4-[(1-methylpyrazol-4-yl)methyl]-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine?
(3aR,6S,7aR)-6-(3-methyl-1,2,4-oxadiazol-5-yl)-4-[(1-methylpyrazol-4-yl)methyl]-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine has a molecular weight of 303.37 g/mol, XLogP of 1.26, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6S,7aR)-6-(3-methyl-1,2,4-oxadiazol-5-yl)-4-[(1-methylpyrazol-4-yl)methyl]-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine is sourced from PubChem (CID 97365069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).