[(4R,4aS,8aR)-4-(5-methyl-1,3,4-oxadiazol-2-yl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-6-yl]-(oxan-4-yl)methanone

C17H25N3O4 — CID 97388789

IUPAC[(4R,4aS,8aR)-4-(5-methyl-1,3,4-oxadiazol-2-yl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-6-yl]-(oxan-4-yl)methanone
SMILESCc1nnc([C@@H]2CCO[C@@H]3CCN(C(=O)C4CCOCC4)C[C@@H]32)o1
InChIInChI=1S/C17H25N3O4/c1-11-18-19-16(24-11)13-5-9-23-15-2-6-20(10-14(13)15)17(21)12-3-7-22-8-4-12/h12-15H,2-10H2,1H3/t13-,14-,15-/m1/s1
InChIKeyURCBKFGDBNKKMH-RBSFLKMASA-N
MW335.40 g/mol
LogP1.53
Rot. Bonds2

About [(4R,4aS,8aR)-4-(5-methyl-1,3,4-oxadiazol-2-yl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-6-yl]-(oxan-4-yl)methanone

[(4R,4aS,8aR)-4-(5-methyl-1,3,4-oxadiazol-2-yl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-6-yl]-(oxan-4-yl)methanone (PubChem CID 97388789) has the molecular formula C17H25N3O4 and a molecular weight of 335.40 g/mol. Its IUPAC name is [(4R,4aS,8aR)-4-(5-methyl-1,3,4-oxadiazol-2-yl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-6-yl]-(oxan-4-yl)methanone.

Molecular Properties

Compound Name[(4R,4aS,8aR)-4-(5-methyl-1,3,4-oxadiazol-2-yl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-6-yl]-(oxan-4-yl)methanone
PubChem CID97388789
Molecular FormulaC17H25N3O4
Molecular Weight335.40 g/mol
Exact Mass335.18
IUPAC Name[(4R,4aS,8aR)-4-(5-methyl-1,3,4-oxadiazol-2-yl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-6-yl]-(oxan-4-yl)methanone
SMILESCc1nnc([C@@H]2CCO[C@@H]3CCN(C(=O)C4CCOCC4)C[C@@H]32)o1
InChIInChI=1S/C17H25N3O4/c1-11-18-19-16(24-11)13-5-9-23-15-2-6-20(10-14(13)15)17(21)12-3-7-22-8-4-12/h12-15H,2-10H2,1H3/t13-,14-,15-/m1/s1
InChIKeyURCBKFGDBNKKMH-RBSFLKMASA-N
XLogP1.53
TPSA77.69 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(4R,4aS,8aR)-4-(5-methyl-1,3,4-oxadiazol-2-yl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-6-yl]-(oxan-4-yl)methanone with MolForge

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Related Compounds

[(4R,4aS,8aR)-4-(5-methyl-1,3,4-oxadiazol-2-yl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-6-yl]-(1,3-thiazol-4-yl)methanone
CID 97411463
[(4R,4aS,8aR)-4-(5-methyl-1,3,4-oxadiazol-2-yl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-6-yl]-(1H-pyrazol-5-yl)methanone
CID 131684172
1-[(4R,4aS,8aR)-4-(5-methyl-1,3,4-oxadiazol-2-yl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-6-yl]-2-(1-methoxycyclobutyl)ethanone
CID 131684249
1-[(4R,4aS,8aR)-4-(5-methyl-1,3,4-oxadiazol-2-yl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-6-yl]-2-pyridin-2-ylethanone
CID 97388777
(4R,4aS,8aR)-4-(5-methyl-1,3,4-oxadiazol-2-yl)-6-[(5-methylthiophen-2-yl)methyl]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine
CID 97367231
4-(5-methyl-1,3,4-oxadiazol-2-yl)-N-(oxan-4-yl)piperidine-1-carboxamide
CID 110612150
[(3R)-3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-(oxan-4-yl)methanone
CID 95829883
[1-[(1S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]piperidin-4-yl]-morpholin-4-ylmethanone
CID 95138768
[3-(methylamino)pyrrolidin-1-yl]-(oxan-4-yl)methanone
CID 81468978
(4-methylpiperidin-1-yl)-(oxan-4-yl)methanone
CID 78803278
[(4aS,8aS)-4-(2-methoxyethyl)-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl]-(oxan-4-yl)methanone
CID 98896809
[(4aR,8aR)-4-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl]-(oxolan-3-yl)methanone
CID 133137430

Frequently Asked Questions

What is the IUPAC name of [(4R,4aS,8aR)-4-(5-methyl-1,3,4-oxadiazol-2-yl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-6-yl]-(oxan-4-yl)methanone?
The IUPAC name of [(4R,4aS,8aR)-4-(5-methyl-1,3,4-oxadiazol-2-yl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-6-yl]-(oxan-4-yl)methanone (CID 97388789) is [(4R,4aS,8aR)-4-(5-methyl-1,3,4-oxadiazol-2-yl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-6-yl]-(oxan-4-yl)methanone.
What is the SMILES notation for [(4R,4aS,8aR)-4-(5-methyl-1,3,4-oxadiazol-2-yl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-6-yl]-(oxan-4-yl)methanone?
The canonical SMILES for [(4R,4aS,8aR)-4-(5-methyl-1,3,4-oxadiazol-2-yl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-6-yl]-(oxan-4-yl)methanone is Cc1nnc([C@@H]2CCO[C@@H]3CCN(C(=O)C4CCOCC4)C[C@@H]32)o1.
What is the InChIKey of [(4R,4aS,8aR)-4-(5-methyl-1,3,4-oxadiazol-2-yl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-6-yl]-(oxan-4-yl)methanone?
The InChIKey is URCBKFGDBNKKMH-RBSFLKMASA-N. The full InChI is InChI=1S/C17H25N3O4/c1-11-18-19-16(24-11)13-5-9-23-15-2-6-20(10-14(13)15)17(21)12-3-7-22-8-4-12/h12-15H,2-10H2,1H3/t13-,14-,15-/m1/s1.
What are the key properties of [(4R,4aS,8aR)-4-(5-methyl-1,3,4-oxadiazol-2-yl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-6-yl]-(oxan-4-yl)methanone?
[(4R,4aS,8aR)-4-(5-methyl-1,3,4-oxadiazol-2-yl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-6-yl]-(oxan-4-yl)methanone has a molecular weight of 335.40 g/mol, XLogP of 1.53, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R,4aS,8aR)-4-(5-methyl-1,3,4-oxadiazol-2-yl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-6-yl]-(oxan-4-yl)methanone is sourced from PubChem (CID 97388789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).