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

C18H21N3O4 — CID 129327133

IUPAC2-[(4S)-3,4-dihydro-2H-chromen-4-yl]-1-[(3R)-3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]ethanone
SMILESCc1nnc([C@H]2COCCN2C(=O)C[C@@H]2CCOc3ccccc32)o1
InChIInChI=1S/C18H21N3O4/c1-12-19-20-18(25-12)15-11-23-9-7-21(15)17(22)10-13-6-8-24-16-5-3-2-4-14(13)16/h2-5,13,15H,6-11H2,1H3/t13-,15+/m0/s1
InChIKeyQLJNEJXMJNHXER-DZGCQCFKSA-N
MW343.38 g/mol
LogP2.23
Rot. Bonds3

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

2-[(4S)-3,4-dihydro-2H-chromen-4-yl]-1-[(3R)-3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]ethanone (PubChem CID 129327133) has the molecular formula C18H21N3O4 and a molecular weight of 343.38 g/mol. Its IUPAC name is 2-[(4S)-3,4-dihydro-2H-chromen-4-yl]-1-[(3R)-3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]ethanone.

Molecular Properties

Compound Name2-[(4S)-3,4-dihydro-2H-chromen-4-yl]-1-[(3R)-3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]ethanone
PubChem CID129327133
Molecular FormulaC18H21N3O4
Molecular Weight343.38 g/mol
Exact Mass343.15
IUPAC Name2-[(4S)-3,4-dihydro-2H-chromen-4-yl]-1-[(3R)-3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]ethanone
SMILESCc1nnc([C@H]2COCCN2C(=O)C[C@@H]2CCOc3ccccc32)o1
InChIInChI=1S/C18H21N3O4/c1-12-19-20-18(25-12)15-11-23-9-7-21(15)17(22)10-13-6-8-24-16-5-3-2-4-14(13)16/h2-5,13,15H,6-11H2,1H3/t13-,15+/m0/s1
InChIKeyQLJNEJXMJNHXER-DZGCQCFKSA-N
XLogP2.23
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 ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Launch Full Analysis

Related Compounds

3-indol-1-yl-1-[(3R)-3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]propan-1-one
CID 129472880
2-(2,6-dimethylphenoxy)-1-[3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]ethanone
CID 128967184
2H-chromen-3-yl-[3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone
CID 128996736
2-(4-fluorophenyl)-1-[3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]ethanone
CID 128998164
(5-ethylfuran-2-yl)-[(3S)-3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone
CID 129327673
(2R)-2-[benzyl(methyl)amino]-1-[(3S)-3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]propan-1-one
CID 129473486
1-(3,4-dihydro-2H-chromen-4-yl)pentan-2-one
CID 104769754
1H-indol-6-yl-[(3R)-3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone
CID 129474082
1-benzothiophen-2-yl-[(3R)-3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone
CID 129472115
3-(1H-indol-5-yl)-1-[3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]propan-1-one
CID 129004636
2-[(4S)-3,4-dihydro-2H-chromen-4-yl]-1-[(2S)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]ethanone
CID 95779512
2-(3,4-dihydro-2H-chromen-4-yl)-1-(4-hydroxypiperidin-1-yl)ethanone
CID 111425138

Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-3,4-dihydro-2H-chromen-4-yl]-1-[(3R)-3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]ethanone?
The IUPAC name of 2-[(4S)-3,4-dihydro-2H-chromen-4-yl]-1-[(3R)-3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]ethanone (CID 129327133) is 2-[(4S)-3,4-dihydro-2H-chromen-4-yl]-1-[(3R)-3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]ethanone.
What is the SMILES notation for 2-[(4S)-3,4-dihydro-2H-chromen-4-yl]-1-[(3R)-3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]ethanone?
The canonical SMILES for 2-[(4S)-3,4-dihydro-2H-chromen-4-yl]-1-[(3R)-3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]ethanone is Cc1nnc([C@H]2COCCN2C(=O)C[C@@H]2CCOc3ccccc32)o1.
What is the InChIKey of 2-[(4S)-3,4-dihydro-2H-chromen-4-yl]-1-[(3R)-3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]ethanone?
The InChIKey is QLJNEJXMJNHXER-DZGCQCFKSA-N. The full InChI is InChI=1S/C18H21N3O4/c1-12-19-20-18(25-12)15-11-23-9-7-21(15)17(22)10-13-6-8-24-16-5-3-2-4-14(13)16/h2-5,13,15H,6-11H2,1H3/t13-,15+/m0/s1.
What are the key properties of 2-[(4S)-3,4-dihydro-2H-chromen-4-yl]-1-[(3R)-3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]ethanone?
2-[(4S)-3,4-dihydro-2H-chromen-4-yl]-1-[(3R)-3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]ethanone has a molecular weight of 343.38 g/mol, XLogP of 2.23, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-3,4-dihydro-2H-chromen-4-yl]-1-[(3R)-3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]ethanone is sourced from PubChem (CID 129327133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).