(2S)-2-(2,3-dihydroindol-1-yl)-1-[(2S)-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]propan-1-one

C18H22N4O3 — CID 129326095

IUPAC(2S)-2-(2,3-dihydroindol-1-yl)-1-[(2S)-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]propan-1-one
SMILESCc1nnc([C@@H]2CN(C(=O)[C@H](C)N3CCc4ccccc43)CCO2)o1
InChIInChI=1S/C18H22N4O3/c1-12(22-8-7-14-5-3-4-6-15(14)22)18(23)21-9-10-24-16(11-21)17-20-19-13(2)25-17/h3-6,12,16H,7-11H2,1-2H3/t12-,16-/m0/s1
InChIKeyGNZVNHYVAFIWEC-LRDDRELGSA-N
MW342.40 g/mol
LogP1.73
Rot. Bonds3

About (2S)-2-(2,3-dihydroindol-1-yl)-1-[(2S)-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]propan-1-one

(2S)-2-(2,3-dihydroindol-1-yl)-1-[(2S)-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]propan-1-one (PubChem CID 129326095) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is (2S)-2-(2,3-dihydroindol-1-yl)-1-[(2S)-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]propan-1-one.

Molecular Properties

Compound Name(2S)-2-(2,3-dihydroindol-1-yl)-1-[(2S)-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]propan-1-one
PubChem CID129326095
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Name(2S)-2-(2,3-dihydroindol-1-yl)-1-[(2S)-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]propan-1-one
SMILESCc1nnc([C@@H]2CN(C(=O)[C@H](C)N3CCc4ccccc43)CCO2)o1
InChIInChI=1S/C18H22N4O3/c1-12(22-8-7-14-5-3-4-6-15(14)22)18(23)21-9-10-24-16(11-21)17-20-19-13(2)25-17/h3-6,12,16H,7-11H2,1-2H3/t12-,16-/m0/s1
InChIKeyGNZVNHYVAFIWEC-LRDDRELGSA-N
XLogP1.73
TPSA71.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-2-cyclopropyl-1-[(2S)-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-2-phenylethanone
CID 129327530
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
(2S)-2-(dimethylamino)-1-[(2S)-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-3-phenylpropan-1-one
CID 129326546
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
2-[ethyl(methyl)amino]-1-[2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-2-phenylethanone
CID 128993074
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
(2S)-2-(5-chlorothiophen-2-yl)-1-[(2S)-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]propan-1-one
CID 129327130
(3-methyl-1-benzofuran-2-yl)-[(2S)-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone
CID 129325788
(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
4-[2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine-4-carbonyl]-1H-quinolin-2-one
CID 129001862
4-[(2R)-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine-4-carbonyl]-1H-quinolin-2-one
CID 129326425

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2,3-dihydroindol-1-yl)-1-[(2S)-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]propan-1-one?
The IUPAC name of (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) is (2S)-2-(2,3-dihydroindol-1-yl)-1-[(2S)-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]propan-1-one.
What is the SMILES notation for (2S)-2-(2,3-dihydroindol-1-yl)-1-[(2S)-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]propan-1-one?
The canonical SMILES for (2S)-2-(2,3-dihydroindol-1-yl)-1-[(2S)-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]propan-1-one is Cc1nnc([C@@H]2CN(C(=O)[C@H](C)N3CCc4ccccc43)CCO2)o1.
What is the InChIKey of (2S)-2-(2,3-dihydroindol-1-yl)-1-[(2S)-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]propan-1-one?
The InChIKey is GNZVNHYVAFIWEC-LRDDRELGSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-12(22-8-7-14-5-3-4-6-15(14)22)18(23)21-9-10-24-16(11-21)17-20-19-13(2)25-17/h3-6,12,16H,7-11H2,1-2H3/t12-,16-/m0/s1.
What are the key properties of (2S)-2-(2,3-dihydroindol-1-yl)-1-[(2S)-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]propan-1-one?
(2S)-2-(2,3-dihydroindol-1-yl)-1-[(2S)-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]propan-1-one has a molecular weight of 342.40 g/mol, XLogP of 1.73, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2,3-dihydroindol-1-yl)-1-[(2S)-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]propan-1-one is sourced from PubChem (CID 129326095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).