[(2R,3aR,7aS)-2-methyl-2-(pyridin-3-yloxymethyl)-3,3a,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-5-yl]-(5-methyl-1,2-oxazol-3-yl)methanone

C19H23N3O4 — CID 110156044

IUPAC[(2R,3aR,7aS)-2-methyl-2-(pyridin-3-yloxymethyl)-3,3a,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-5-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
SMILESCc1cc(C(=O)N2CC[C@@H]3O[C@@](C)(COc4cccnc4)C[C@@H]3C2)no1
InChIInChI=1S/C19H23N3O4/c1-13-8-16(21-26-13)18(23)22-7-5-17-14(11-22)9-19(2,25-17)12-24-15-4-3-6-20-10-15/h3-4,6,8,10,14,17H,5,7,9,11-12H2,1-2H3/t14-,17+,19-/m1/s1
InChIKeyBLFZYVGCLYNESX-DKSSEZFCSA-N
MW357.41 g/mol
LogP2.47
Rot. Bonds4

About [(2R,3aR,7aS)-2-methyl-2-(pyridin-3-yloxymethyl)-3,3a,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-5-yl]-(5-methyl-1,2-oxazol-3-yl)methanone

[(2R,3aR,7aS)-2-methyl-2-(pyridin-3-yloxymethyl)-3,3a,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-5-yl]-(5-methyl-1,2-oxazol-3-yl)methanone (PubChem CID 110156044) has the molecular formula C19H23N3O4 and a molecular weight of 357.41 g/mol. Its IUPAC name is [(2R,3aR,7aS)-2-methyl-2-(pyridin-3-yloxymethyl)-3,3a,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-5-yl]-(5-methyl-1,2-oxazol-3-yl)methanone.

Molecular Properties

Compound Name[(2R,3aR,7aS)-2-methyl-2-(pyridin-3-yloxymethyl)-3,3a,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-5-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
PubChem CID110156044
Molecular FormulaC19H23N3O4
Molecular Weight357.41 g/mol
Exact Mass357.17
IUPAC Name[(2R,3aR,7aS)-2-methyl-2-(pyridin-3-yloxymethyl)-3,3a,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-5-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
SMILESCc1cc(C(=O)N2CC[C@@H]3O[C@@](C)(COc4cccnc4)C[C@@H]3C2)no1
InChIInChI=1S/C19H23N3O4/c1-13-8-16(21-26-13)18(23)22-7-5-17-14(11-22)9-19(2,25-17)12-24-15-4-3-6-20-10-15/h3-4,6,8,10,14,17H,5,7,9,11-12H2,1-2H3/t14-,17+,19-/m1/s1
InChIKeyBLFZYVGCLYNESX-DKSSEZFCSA-N
XLogP2.47
TPSA77.69 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(2R,3aR,7aS)-2-methyl-2-(pyridin-3-yloxymethyl)-3,3a,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-5-yl]-(5-methyl-1,2-oxazol-3-yl)methanone with MolForge

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Related Compounds

[(2R,3aR,7aS)-2-methyl-2-(pyridin-3-yloxymethyl)-3,3a,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-5-yl]-pyridazin-3-ylmethanone
CID 110155932
[(3aR,7aS)-3a-(pyridin-3-yloxymethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-5-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 124893689
(2R,3aR,7aS)-5-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methyl-2-(pyridin-3-yloxymethyl)-3,3a,4,6,7,7a-hexahydrofuro[3,2-c]pyridine
CID 110156023
(5-methyl-1,2-oxazol-3-yl)-[(4R,5S)-4-(pyridin-3-yloxymethyl)-6-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 97452476
[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 129366335
(5-methyl-1,2-oxazol-3-yl)-[4-(1-pyrazin-2-ylpiperidin-4-yl)piperidin-1-yl]methanone
CID 155509306
[(3S)-3-[[2-(dimethylamino)-3-pyridinyl]oxy]pyrrolidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 129476756
(3S)-1-methyl-8-(5-methyl-1,2-oxazole-3-carbonyl)-3-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one
CID 97469573
(4-amino-3-ethylpiperidin-1-yl)-(5-methyl-1,2-oxazol-3-yl)methanone
CID 81457893
(4-chloropiperidin-1-yl)-(5-methyl-1,2-oxazol-3-yl)methanone
CID 66155616
(5S,9S)-9-methyl-7-(5-methyl-1,2-oxazole-3-carbonyl)-2-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 124893271
(3-chloro-4-methylpiperidin-1-yl)-(5-methyl-1,2-oxazol-3-yl)methanone
CID 102961313

Frequently Asked Questions

What is the IUPAC name of [(2R,3aR,7aS)-2-methyl-2-(pyridin-3-yloxymethyl)-3,3a,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-5-yl]-(5-methyl-1,2-oxazol-3-yl)methanone?
The IUPAC name of [(2R,3aR,7aS)-2-methyl-2-(pyridin-3-yloxymethyl)-3,3a,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-5-yl]-(5-methyl-1,2-oxazol-3-yl)methanone (CID 110156044) is [(2R,3aR,7aS)-2-methyl-2-(pyridin-3-yloxymethyl)-3,3a,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-5-yl]-(5-methyl-1,2-oxazol-3-yl)methanone.
What is the SMILES notation for [(2R,3aR,7aS)-2-methyl-2-(pyridin-3-yloxymethyl)-3,3a,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-5-yl]-(5-methyl-1,2-oxazol-3-yl)methanone?
The canonical SMILES for [(2R,3aR,7aS)-2-methyl-2-(pyridin-3-yloxymethyl)-3,3a,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-5-yl]-(5-methyl-1,2-oxazol-3-yl)methanone is Cc1cc(C(=O)N2CC[C@@H]3O[C@@](C)(COc4cccnc4)C[C@@H]3C2)no1.
What is the InChIKey of [(2R,3aR,7aS)-2-methyl-2-(pyridin-3-yloxymethyl)-3,3a,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-5-yl]-(5-methyl-1,2-oxazol-3-yl)methanone?
The InChIKey is BLFZYVGCLYNESX-DKSSEZFCSA-N. The full InChI is InChI=1S/C19H23N3O4/c1-13-8-16(21-26-13)18(23)22-7-5-17-14(11-22)9-19(2,25-17)12-24-15-4-3-6-20-10-15/h3-4,6,8,10,14,17H,5,7,9,11-12H2,1-2H3/t14-,17+,19-/m1/s1.
What are the key properties of [(2R,3aR,7aS)-2-methyl-2-(pyridin-3-yloxymethyl)-3,3a,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-5-yl]-(5-methyl-1,2-oxazol-3-yl)methanone?
[(2R,3aR,7aS)-2-methyl-2-(pyridin-3-yloxymethyl)-3,3a,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-5-yl]-(5-methyl-1,2-oxazol-3-yl)methanone has a molecular weight of 357.41 g/mol, XLogP of 2.47, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3aR,7aS)-2-methyl-2-(pyridin-3-yloxymethyl)-3,3a,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-5-yl]-(5-methyl-1,2-oxazol-3-yl)methanone is sourced from PubChem (CID 110156044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).