(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

C15H21N5O2 — CID 97369791

IUPAC(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
SMILESCc1nc([C@@H]2C[C@@H]3CCN(Cc4cnn(C)c4)C[C@H]3O2)no1
InChIInChI=1S/C15H21N5O2/c1-10-17-15(18-22-10)13-5-12-3-4-20(9-14(12)21-13)8-11-6-16-19(2)7-11/h6-7,12-14H,3-5,8-9H2,1-2H3/t12-,13-,14+/m0/s1
InChIKeyCDNUTKXACRYYPU-MELADBBJSA-N
MW303.37 g/mol
LogP1.46
Rot. Bonds3

About (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

(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 (PubChem CID 97369791) has the molecular formula C15H21N5O2 and a molecular weight of 303.37 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID97369791
Molecular FormulaC15H21N5O2
Molecular Weight303.37 g/mol
Exact Mass303.17
IUPAC Name(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
SMILESCc1nc([C@@H]2C[C@@H]3CCN(Cc4cnn(C)c4)C[C@H]3O2)no1
InChIInChI=1S/C15H21N5O2/c1-10-17-15(18-22-10)13-5-12-3-4-20(9-14(12)21-13)8-11-6-16-19(2)7-11/h6-7,12-14H,3-5,8-9H2,1-2H3/t12-,13-,14+/m0/s1
InChIKeyCDNUTKXACRYYPU-MELADBBJSA-N
XLogP1.46
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 ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (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 with MolForge

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Launch Full Analysis

Related Compounds

4-[(5-Cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-2-[(4-methylpyrazol-1-yl)methyl]morpholine
CID 53565426
(2R,3aS,7aS)-6-(5-fluoropyrimidin-2-yl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine
CID 97369598
(2S,3aR,7aR)-6-(5-fluoropyrimidin-2-yl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine
CID 124806166
(2R,3aS,7aS)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-6-[(1-methylpyrazol-4-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine;2,2,2-trifluoroacetic acid
CID 155828765
3-Cyclopropyl-5-[[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-3-yl]oxymethyl]-1,2,4-oxadiazole
CID 71687033
(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl {1-[(1-ethyl-1H-pyrazol-4-yl)methyl]-4-piperidyl} ether
CID 91927459
(2S)-4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-2-[(4-methylpyrazol-1-yl)methyl]morpholine
CID 95285129
(2R)-4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-2-[(4-methylpyrazol-1-yl)methyl]morpholine
CID 95285130
5-(Methoxymethyl)-3-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]-1,2,4-oxadiazole
CID 95824475
(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
(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
(2R,3aS,7aS)-6-[(1-methylpyrazol-4-yl)methyl]-2-(5-methyl-1H-1,2,4-triazol-3-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine
CID 97369608

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is Cc1nc([C@@H]2C[C@@H]3CCN(Cc4cnn(C)c4)C[C@H]3O2)no1.
What is the InChIKey of (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?
The InChIKey is CDNUTKXACRYYPU-MELADBBJSA-N. The full InChI is InChI=1S/C15H21N5O2/c1-10-17-15(18-22-10)13-5-12-3-4-20(9-14(12)21-13)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 (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?
(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 has a molecular weight of 303.37 g/mol, XLogP of 1.46, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 97369791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).