1,3-dihydro-2-benzofuran-5-yl-[(2R,6R)-2-methyl-6-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone

C17H19N3O4 — CID 154762119

IUPAC1,3-dihydro-2-benzofuran-5-yl-[(2R,6R)-2-methyl-6-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone
SMILESCc1nnc([C@H]2CN(C(=O)c3ccc4c(c3)COC4)C[C@@H](C)O2)o1
InChIInChI=1S/C17H19N3O4/c1-10-6-20(7-15(23-10)16-19-18-11(2)24-16)17(21)12-3-4-13-8-22-9-14(13)5-12/h3-5,10,15H,6-9H2,1-2H3/t10-,15-/m1/s1
InChIKeyIOXMSQNQLDRVDN-MEBBXXQBSA-N
MW329.36 g/mol
LogP2.01
Rot. Bonds2

About 1,3-dihydro-2-benzofuran-5-yl-[(2R,6R)-2-methyl-6-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone

1,3-dihydro-2-benzofuran-5-yl-[(2R,6R)-2-methyl-6-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone (PubChem CID 154762119) has the molecular formula C17H19N3O4 and a molecular weight of 329.36 g/mol. Its IUPAC name is 1,3-dihydro-2-benzofuran-5-yl-[(2R,6R)-2-methyl-6-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name1,3-dihydro-2-benzofuran-5-yl-[(2R,6R)-2-methyl-6-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone
PubChem CID154762119
Molecular FormulaC17H19N3O4
Molecular Weight329.36 g/mol
Exact Mass329.14
IUPAC Name1,3-dihydro-2-benzofuran-5-yl-[(2R,6R)-2-methyl-6-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone
SMILESCc1nnc([C@H]2CN(C(=O)c3ccc4c(c3)COC4)C[C@@H](C)O2)o1
InChIInChI=1S/C17H19N3O4/c1-10-6-20(7-15(23-10)16-19-18-11(2)24-16)17(21)12-3-4-13-8-22-9-14(13)5-12/h3-5,10,15H,6-9H2,1-2H3/t10-,15-/m1/s1
InChIKeyIOXMSQNQLDRVDN-MEBBXXQBSA-N
XLogP2.01
TPSA77.69 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1,3-dihydro-2-benzofuran-5-yl-[(2R,6R)-2-methyl-6-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone with MolForge

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Launch Full Analysis

Related Compounds

1-(1,3-dihydro-2-benzofuran-5-carbonyl)-5-methylpiperidine-3-carboxylic acid
CID 122118428
[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 618918
1,3-dihydro-2-benzofuran-5-yl-(3-methylpiperazin-1-yl)methanone;hydrochloride
CID 119579585
2,3-dihydro-1-benzofuran-5-yl-(2,6-dimethylmorpholin-4-yl)methanone
CID 46585627
(3,4-dichlorophenyl)-(2,6-dimethylmorpholin-4-yl)methanone
CID 3339174
(3,4-dichlorophenyl)-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 7724523
(3,4-dichlorophenyl)-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone
CID 7722716
[(2R,6S)-2,6-dimethylmorpholin-4-yl]-(9H-fluoren-2-yl)methanone
CID 39878233
(2,6-dimethylmorpholin-4-yl)-(9H-fluoren-2-yl)methanone
CID 71896788
1,3-dihydro-2-benzofuran-5-yl-(4-hydroxypiperidin-1-yl)methanone
CID 62112159
(2,3-dimethyl-1H-indol-5-yl)-[(2S)-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone
CID 129326330
(4-bromo-3-methylphenyl)-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 66817211

Frequently Asked Questions

What is the IUPAC name of 1,3-dihydro-2-benzofuran-5-yl-[(2R,6R)-2-methyl-6-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone?
The IUPAC name of 1,3-dihydro-2-benzofuran-5-yl-[(2R,6R)-2-methyl-6-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone (CID 154762119) is 1,3-dihydro-2-benzofuran-5-yl-[(2R,6R)-2-methyl-6-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone.
What is the SMILES notation for 1,3-dihydro-2-benzofuran-5-yl-[(2R,6R)-2-methyl-6-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone?
The canonical SMILES for 1,3-dihydro-2-benzofuran-5-yl-[(2R,6R)-2-methyl-6-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone is Cc1nnc([C@H]2CN(C(=O)c3ccc4c(c3)COC4)C[C@@H](C)O2)o1.
What is the InChIKey of 1,3-dihydro-2-benzofuran-5-yl-[(2R,6R)-2-methyl-6-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone?
The InChIKey is IOXMSQNQLDRVDN-MEBBXXQBSA-N. The full InChI is InChI=1S/C17H19N3O4/c1-10-6-20(7-15(23-10)16-19-18-11(2)24-16)17(21)12-3-4-13-8-22-9-14(13)5-12/h3-5,10,15H,6-9H2,1-2H3/t10-,15-/m1/s1.
What are the key properties of 1,3-dihydro-2-benzofuran-5-yl-[(2R,6R)-2-methyl-6-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone?
1,3-dihydro-2-benzofuran-5-yl-[(2R,6R)-2-methyl-6-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone has a molecular weight of 329.36 g/mol, XLogP of 2.01, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dihydro-2-benzofuran-5-yl-[(2R,6R)-2-methyl-6-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone is sourced from PubChem (CID 154762119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).