[(2S,3aS,6aS)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-(4-methyl-2-pyridinyl)methanone

C17H20N4O3 — CID 97483220

IUPAC[(2S,3aS,6aS)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-(4-methyl-2-pyridinyl)methanone
SMILESCc1ccnc(C(=O)N2C[C@@H]3C[C@@H](Cc4nc(C)no4)O[C@@H]3C2)c1
InChIInChI=1S/C17H20N4O3/c1-10-3-4-18-14(5-10)17(22)21-8-12-6-13(23-15(12)9-21)7-16-19-11(2)20-24-16/h3-5,12-13,15H,6-9H2,1-2H3/t12-,13-,15+/m0/s1
InChIKeySSWQPTQIXOPWQF-KCQAQPDRSA-N
MW328.37 g/mol
LogP1.55
Rot. Bonds3

About [(2S,3aS,6aS)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-(4-methyl-2-pyridinyl)methanone

[(2S,3aS,6aS)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-(4-methyl-2-pyridinyl)methanone (PubChem CID 97483220) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is [(2S,3aS,6aS)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-(4-methyl-2-pyridinyl)methanone.

Molecular Properties

Compound Name[(2S,3aS,6aS)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-(4-methyl-2-pyridinyl)methanone
PubChem CID97483220
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC Name[(2S,3aS,6aS)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-(4-methyl-2-pyridinyl)methanone
SMILESCc1ccnc(C(=O)N2C[C@@H]3C[C@@H](Cc4nc(C)no4)O[C@@H]3C2)c1
InChIInChI=1S/C17H20N4O3/c1-10-3-4-18-14(5-10)17(22)21-8-12-6-13(23-15(12)9-21)7-16-19-11(2)20-24-16/h3-5,12-13,15H,6-9H2,1-2H3/t12-,13-,15+/m0/s1
InChIKeySSWQPTQIXOPWQF-KCQAQPDRSA-N
XLogP1.55
TPSA81.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(2S,3aS,6aS)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-(4-methyl-2-pyridinyl)methanone with MolForge

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Related Compounds

[(2R,3aS,7aS)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-(1-methylpyrrol-2-yl)methanone
CID 97380889
[(2S)-4,4-difluoro-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-(3-methyl-2-pyridinyl)methanone
CID 110203103
2-{4,4-Difluoro-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-YL]pyrrolidine-1-carbonyl}-5-methylpyridine
CID 124050771
2-{2-[3-(Oxan-4-YL)-1,2,4-oxadiazol-5-YL]pyrrolidine-1-carbonyl}pyridine
CID 91908100
[2-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2,8-diazaspiro[4.5]dec-8-yl](1-methyl-1H-pyrrol-2-yl)methanone
CID 124045104
2-[2-(3-Phenyl-1,2,4-oxadiazol-5-YL)pyrrolidine-1-carbonyl]pyridine
CID 91906389
2-{2-[3-(4-Methylphenyl)-1,2,4-oxadiazol-5-YL]pyrrolidine-1-carbonyl}pyridine
CID 91916561
[3-[5-[1-(2-Methoxyethyl)pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]azetidin-1-yl]-(3-methyl-2-pyridinyl)methanone
CID 91921589
5-(2-{3-[2-(Cyclopropylmethoxy)ethyl]-1,2,4-oxadiazol-5-YL}pyrrolidine-1-carbonyl)-2-methylpyridine
CID 124044096
4-(2-{3-[2-(Cyclopentylmethoxy)ethyl]-1,2,4-oxadiazol-5-YL}pyrrolidine-1-carbonyl)pyridine
CID 124044107
[4-[[3-(2-Methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-1-oxa-9-azaspiro[5.5]undecan-9-yl]-pyridin-2-ylmethanone
CID 124075507
[(2S)-2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 99753607

Frequently Asked Questions

What is the IUPAC name of [(2S,3aS,6aS)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-(4-methyl-2-pyridinyl)methanone?
The IUPAC name of [(2S,3aS,6aS)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-(4-methyl-2-pyridinyl)methanone (CID 97483220) is [(2S,3aS,6aS)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-(4-methyl-2-pyridinyl)methanone.
What is the SMILES notation for [(2S,3aS,6aS)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-(4-methyl-2-pyridinyl)methanone?
The canonical SMILES for [(2S,3aS,6aS)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-(4-methyl-2-pyridinyl)methanone is Cc1ccnc(C(=O)N2C[C@@H]3C[C@@H](Cc4nc(C)no4)O[C@@H]3C2)c1.
What is the InChIKey of [(2S,3aS,6aS)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-(4-methyl-2-pyridinyl)methanone?
The InChIKey is SSWQPTQIXOPWQF-KCQAQPDRSA-N. The full InChI is InChI=1S/C17H20N4O3/c1-10-3-4-18-14(5-10)17(22)21-8-12-6-13(23-15(12)9-21)7-16-19-11(2)20-24-16/h3-5,12-13,15H,6-9H2,1-2H3/t12-,13-,15+/m0/s1.
What are the key properties of [(2S,3aS,6aS)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-(4-methyl-2-pyridinyl)methanone?
[(2S,3aS,6aS)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-(4-methyl-2-pyridinyl)methanone has a molecular weight of 328.37 g/mol, XLogP of 1.55, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3aS,6aS)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-(4-methyl-2-pyridinyl)methanone is sourced from PubChem (CID 97483220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).