(3R)-3-[5-(7-fluoro-1-benzofuran-4-yl)-1,2,4-oxadiazol-3-yl]-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazine

C18H18FN3O3 — CID 167756663

IUPAC(3R)-3-[5-(7-fluoro-1-benzofuran-4-yl)-1,2,4-oxadiazol-3-yl]-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazine
SMILESFc1ccc(-c2nc([C@H]3CN4CCCCC4CO3)no2)c2ccoc12
InChIInChI=1S/C18H18FN3O3/c19-14-5-4-13(12-6-8-23-16(12)14)18-20-17(21-25-18)15-9-22-7-2-1-3-11(22)10-24-15/h4-6,8,11,15H,1-3,7,9-10H2/t11?,15-/m1/s1
InChIKeyWQPYEVHMBZHKBU-JOPIAHFSSA-N
MW343.36 g/mol
LogP3.55
Rot. Bonds2

About (3R)-3-[5-(7-fluoro-1-benzofuran-4-yl)-1,2,4-oxadiazol-3-yl]-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazine

(3R)-3-[5-(7-fluoro-1-benzofuran-4-yl)-1,2,4-oxadiazol-3-yl]-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazine (PubChem CID 167756663) has the molecular formula C18H18FN3O3 and a molecular weight of 343.36 g/mol. Its IUPAC name is (3R)-3-[5-(7-fluoro-1-benzofuran-4-yl)-1,2,4-oxadiazol-3-yl]-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazine.

Molecular Properties

Compound Name(3R)-3-[5-(7-fluoro-1-benzofuran-4-yl)-1,2,4-oxadiazol-3-yl]-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazine
PubChem CID167756663
Molecular FormulaC18H18FN3O3
Molecular Weight343.36 g/mol
Exact Mass343.13
IUPAC Name(3R)-3-[5-(7-fluoro-1-benzofuran-4-yl)-1,2,4-oxadiazol-3-yl]-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazine
SMILESFc1ccc(-c2nc([C@H]3CN4CCCCC4CO3)no2)c2ccoc12
InChIInChI=1S/C18H18FN3O3/c19-14-5-4-13(12-6-8-23-16(12)14)18-20-17(21-25-18)15-9-22-7-2-1-3-11(22)10-24-15/h4-6,8,11,15H,1-3,7,9-10H2/t11?,15-/m1/s1
InChIKeyWQPYEVHMBZHKBU-JOPIAHFSSA-N
XLogP3.55
TPSA64.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.36
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (3R)-3-[5-(7-fluoro-1-benzofuran-4-yl)-1,2,4-oxadiazol-3-yl]-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazine with MolForge

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Related Compounds

5-(7-fluoro-1-benzofuran-4-yl)-3-[(8S)-5-oxaspiro[3.5]nonan-8-yl]-1,2,4-oxadiazole
CID 176584900
[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl (3S)-2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate
CID 55935045
(3-((3-(2-Fluorophenyl)-1,2,4-oxadiazol-5-yl)methyl)piperidin-1-yl)(5-methoxybenzofuran-2-yl)methanone
CID 90641307
(7-Fluoro-1-benzofuran-4-yl)-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 136562679
(7-Fluoro-1-benzofuran-4-yl)-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 136562680
[2-(5-Ethyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-(7-fluoro-1-benzofuran-4-yl)methanone
CID 136563953
(7-Fluoro-1-benzofuran-4-yl)-[2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
CID 136564164
(7-Fluoro-1-benzofuran-4-yl)-[2-(1,2,4-oxadiazol-3-yl)azepan-1-yl]methanone
CID 136564850
[3-[(3-Ethyl-1,2,4-oxadiazol-5-yl)methoxy]azetidin-1-yl]-(7-fluoro-1-benzofuran-4-yl)methanone
CID 136565461
(3R,8aS)-3-[5-(7-fluoro-4-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazol-3-yl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazine
CID 136588302
N-[2-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]-7-fluoro-1-benzofuran-4-carboxamide
CID 137933540
1-[2-[5-(7-Fluoro-1-benzofuran-4-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]ethanone
CID 146141333

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[5-(7-fluoro-1-benzofuran-4-yl)-1,2,4-oxadiazol-3-yl]-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazine?
The IUPAC name of (3R)-3-[5-(7-fluoro-1-benzofuran-4-yl)-1,2,4-oxadiazol-3-yl]-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazine (CID 167756663) is (3R)-3-[5-(7-fluoro-1-benzofuran-4-yl)-1,2,4-oxadiazol-3-yl]-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazine.
What is the SMILES notation for (3R)-3-[5-(7-fluoro-1-benzofuran-4-yl)-1,2,4-oxadiazol-3-yl]-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazine?
The canonical SMILES for (3R)-3-[5-(7-fluoro-1-benzofuran-4-yl)-1,2,4-oxadiazol-3-yl]-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazine is Fc1ccc(-c2nc([C@H]3CN4CCCCC4CO3)no2)c2ccoc12.
What is the InChIKey of (3R)-3-[5-(7-fluoro-1-benzofuran-4-yl)-1,2,4-oxadiazol-3-yl]-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazine?
The InChIKey is WQPYEVHMBZHKBU-JOPIAHFSSA-N. The full InChI is InChI=1S/C18H18FN3O3/c19-14-5-4-13(12-6-8-23-16(12)14)18-20-17(21-25-18)15-9-22-7-2-1-3-11(22)10-24-15/h4-6,8,11,15H,1-3,7,9-10H2/t11?,15-/m1/s1.
What are the key properties of (3R)-3-[5-(7-fluoro-1-benzofuran-4-yl)-1,2,4-oxadiazol-3-yl]-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazine?
(3R)-3-[5-(7-fluoro-1-benzofuran-4-yl)-1,2,4-oxadiazol-3-yl]-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazine has a molecular weight of 343.36 g/mol, XLogP of 3.55, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[5-(7-fluoro-1-benzofuran-4-yl)-1,2,4-oxadiazol-3-yl]-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazine is sourced from PubChem (CID 167756663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).