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

C15H20N4O2S — CID 124810298

IUPAC(2S,3aR,7aR)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-6-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine
SMILESCc1noc([C@@H]2C[C@H]3CCN(Cc4csc(C)n4)C[C@@H]3O2)n1
InChIInChI=1S/C15H20N4O2S/c1-9-16-15(21-18-9)13-5-11-3-4-19(7-14(11)20-13)6-12-8-22-10(2)17-12/h8,11,13-14H,3-7H2,1-2H3/t11-,13+,14+/m1/s1
InChIKeyRRVSGUNGQDLLNV-XBFCOCLRSA-N
MW320.42 g/mol
LogP2.50
Rot. Bonds3

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

(2S,3aR,7aR)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-6-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine (PubChem CID 124810298) has the molecular formula C15H20N4O2S and a molecular weight of 320.42 g/mol. Its IUPAC name is (2S,3aR,7aR)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-6-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine.

Molecular Properties

Compound Name(2S,3aR,7aR)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-6-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine
PubChem CID124810298
Molecular FormulaC15H20N4O2S
Molecular Weight320.42 g/mol
Exact Mass320.13
IUPAC Name(2S,3aR,7aR)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-6-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine
SMILESCc1noc([C@@H]2C[C@H]3CCN(Cc4csc(C)n4)C[C@@H]3O2)n1
InChIInChI=1S/C15H20N4O2S/c1-9-16-15(21-18-9)13-5-11-3-4-19(7-14(11)20-13)6-12-8-22-10(2)17-12/h8,11,13-14H,3-7H2,1-2H3/t11-,13+,14+/m1/s1
InChIKeyRRVSGUNGQDLLNV-XBFCOCLRSA-N
XLogP2.50
TPSA64.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Related Compounds

(2S,3aR,7aR)-6-[(5-methylfuran-2-yl)methyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine
CID 124811789
(2S,3aR,7aR)-N,N-dimethyl-6-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
CID 124806623
(2S,3aS,6aS)-5-[(5-methylfuran-2-yl)methyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole
CID 97369234
(2S,3aS,7aS)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-6-(oxan-4-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine;2,2,2-trifluoroacetic acid
CID 127022247
5-[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-3-methyl-1,2,4-oxadiazole
CID 75462080
3-ethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-ol
CID 114511212
[(2S,3aR,7aR)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-(5-methylfuran-2-yl)methanone
CID 124799086
(2S,3aS,7aS)-2-(5-methyl-1,2,4-oxadiazol-3-yl)-6-(1,3-thiazol-2-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine
CID 97369792
(2S,3aS,6aS)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-5-methylsulfonyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole
CID 97369250
1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-ol
CID 60643680
(2S,3aS,7aS)-2-(2-methylpyrimidin-4-yl)-6-[(3-methylthiophen-2-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine
CID 97369771
4-[[(3aS,8aR)-2-[(5-methyl-1H-pyrazol-3-yl)methyl]-1,3,3a,4,5,7,8,8a-octahydropyrrolo[3,4-d]azepin-6-yl]methyl]-2-methyl-1,3-thiazole
CID 155877144

Frequently Asked Questions

What is the IUPAC name of (2S,3aR,7aR)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-6-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine?
The IUPAC name of (2S,3aR,7aR)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-6-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine (CID 124810298) is (2S,3aR,7aR)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-6-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine.
What is the SMILES notation for (2S,3aR,7aR)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-6-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine?
The canonical SMILES for (2S,3aR,7aR)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-6-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine is Cc1noc([C@@H]2C[C@H]3CCN(Cc4csc(C)n4)C[C@@H]3O2)n1.
What is the InChIKey of (2S,3aR,7aR)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-6-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine?
The InChIKey is RRVSGUNGQDLLNV-XBFCOCLRSA-N. The full InChI is InChI=1S/C15H20N4O2S/c1-9-16-15(21-18-9)13-5-11-3-4-19(7-14(11)20-13)6-12-8-22-10(2)17-12/h8,11,13-14H,3-7H2,1-2H3/t11-,13+,14+/m1/s1.
What are the key properties of (2S,3aR,7aR)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-6-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine?
(2S,3aR,7aR)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-6-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine has a molecular weight of 320.42 g/mol, XLogP of 2.50, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3aR,7aR)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-6-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine is sourced from PubChem (CID 124810298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).