2-[(1S)-3,4-dihydro-1H-isochromen-1-yl]-1-[(2R)-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]ethanone

C18H21N3O4 — CID 129326457

IUPAC2-[(1S)-3,4-dihydro-1H-isochromen-1-yl]-1-[(2R)-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]ethanone
SMILESCc1nnc([C@H]2CN(C(=O)C[C@@H]3OCCc4ccccc43)CCO2)o1
InChIInChI=1S/C18H21N3O4/c1-12-19-20-18(25-12)16-11-21(7-9-24-16)17(22)10-15-14-5-3-2-4-13(14)6-8-23-15/h2-5,15-16H,6-11H2,1H3/t15-,16+/m0/s1
InChIKeyKCUPSBKJDSNUJF-JKSUJKDBSA-N
MW343.38 g/mol
LogP1.98
Rot. Bonds3

About 2-[(1S)-3,4-dihydro-1H-isochromen-1-yl]-1-[(2R)-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]ethanone

2-[(1S)-3,4-dihydro-1H-isochromen-1-yl]-1-[(2R)-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]ethanone (PubChem CID 129326457) has the molecular formula C18H21N3O4 and a molecular weight of 343.38 g/mol. Its IUPAC name is 2-[(1S)-3,4-dihydro-1H-isochromen-1-yl]-1-[(2R)-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]ethanone.

Molecular Properties

Compound Name2-[(1S)-3,4-dihydro-1H-isochromen-1-yl]-1-[(2R)-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]ethanone
PubChem CID129326457
Molecular FormulaC18H21N3O4
Molecular Weight343.38 g/mol
Exact Mass343.15
IUPAC Name2-[(1S)-3,4-dihydro-1H-isochromen-1-yl]-1-[(2R)-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]ethanone
SMILESCc1nnc([C@H]2CN(C(=O)C[C@@H]3OCCc4ccccc43)CCO2)o1
InChIInChI=1S/C18H21N3O4/c1-12-19-20-18(25-12)16-11-21(7-9-24-16)17(22)10-15-14-5-3-2-4-13(14)6-8-23-15/h2-5,15-16H,6-11H2,1H3/t15-,16+/m0/s1
InChIKeyKCUPSBKJDSNUJF-JKSUJKDBSA-N
XLogP1.98
TPSA77.69 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[(1S)-3,4-dihydro-1H-isochromen-1-yl]-1-[(2R)-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]ethanone with MolForge

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Related Compounds

2-[(1S)-2,3-dihydro-1H-inden-1-yl]-1-[(2R)-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]ethanone
CID 129327260
2-[(1R)-2,3-dihydro-1H-inden-1-yl]-1-[(2S)-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]ethanone
CID 129327262
(E)-1-[2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-5-phenylpent-4-en-1-one
CID 129001830
2-(2-methylbenzimidazol-1-yl)-1-[(2S)-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]ethanone
CID 129325955
1-[(3S)-3-aminopyrrolidin-1-yl]-2-[(1R)-3,4-dihydro-1H-isochromen-1-yl]ethanone
CID 124574483
(2S)-2-(2,3-dihydroindol-1-yl)-1-[(2S)-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]propan-1-one
CID 129326095
2-(2-methyl-1H-indol-3-yl)-1-[(2S)-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]ethanone
CID 129327666
1-(4-aminopiperidin-1-yl)-2-(3,4-dihydro-1H-isochromen-1-yl)ethanone
CID 119376371
1-[(2R)-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-4-thiophen-2-ylbutan-1-one
CID 129327921
(1-benzylcyclobutyl)-[2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone
CID 128998146
1-[(2R)-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-2-(2,4,5-trifluorophenyl)ethanone
CID 129327013
(3-methyl-1-benzofuran-2-yl)-[(2S)-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone
CID 129325788

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-3,4-dihydro-1H-isochromen-1-yl]-1-[(2R)-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]ethanone?
The IUPAC name of 2-[(1S)-3,4-dihydro-1H-isochromen-1-yl]-1-[(2R)-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]ethanone (CID 129326457) is 2-[(1S)-3,4-dihydro-1H-isochromen-1-yl]-1-[(2R)-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]ethanone.
What is the SMILES notation for 2-[(1S)-3,4-dihydro-1H-isochromen-1-yl]-1-[(2R)-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]ethanone?
The canonical SMILES for 2-[(1S)-3,4-dihydro-1H-isochromen-1-yl]-1-[(2R)-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]ethanone is Cc1nnc([C@H]2CN(C(=O)C[C@@H]3OCCc4ccccc43)CCO2)o1.
What is the InChIKey of 2-[(1S)-3,4-dihydro-1H-isochromen-1-yl]-1-[(2R)-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]ethanone?
The InChIKey is KCUPSBKJDSNUJF-JKSUJKDBSA-N. The full InChI is InChI=1S/C18H21N3O4/c1-12-19-20-18(25-12)16-11-21(7-9-24-16)17(22)10-15-14-5-3-2-4-13(14)6-8-23-15/h2-5,15-16H,6-11H2,1H3/t15-,16+/m0/s1.
What are the key properties of 2-[(1S)-3,4-dihydro-1H-isochromen-1-yl]-1-[(2R)-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]ethanone?
2-[(1S)-3,4-dihydro-1H-isochromen-1-yl]-1-[(2R)-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]ethanone has a molecular weight of 343.38 g/mol, XLogP of 1.98, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-3,4-dihydro-1H-isochromen-1-yl]-1-[(2R)-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]ethanone is sourced from PubChem (CID 129326457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).