1-[2-(2-chlorophenyl)-5-methylmorpholin-4-yl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propan-1-one

C23H24ClN3O3 — CID 86934595

IUPAC1-[2-(2-chlorophenyl)-5-methylmorpholin-4-yl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propan-1-one
SMILESCc1ccc(-c2nnc(CCC(=O)N3CC(c4ccccc4Cl)OCC3C)o2)cc1
InChIInChI=1S/C23H24ClN3O3/c1-15-7-9-17(10-8-15)23-26-25-21(30-23)11-12-22(28)27-13-20(29-14-16(27)2)18-5-3-4-6-19(18)24/h3-10,16,20H,11-14H2,1-2H3
InChIKeyDSLYZGVSFQQDMG-UHFFFAOYSA-N
MW425.92 g/mol
LogP4.62
Rot. Bonds5

About 1-[2-(2-chlorophenyl)-5-methylmorpholin-4-yl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propan-1-one

1-[2-(2-chlorophenyl)-5-methylmorpholin-4-yl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propan-1-one (PubChem CID 86934595) has the molecular formula C23H24ClN3O3 and a molecular weight of 425.92 g/mol. Its IUPAC name is 1-[2-(2-chlorophenyl)-5-methylmorpholin-4-yl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propan-1-one.

Molecular Properties

Compound Name1-[2-(2-chlorophenyl)-5-methylmorpholin-4-yl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propan-1-one
PubChem CID86934595
Molecular FormulaC23H24ClN3O3
Molecular Weight425.92 g/mol
Exact Mass425.15
IUPAC Name1-[2-(2-chlorophenyl)-5-methylmorpholin-4-yl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propan-1-one
SMILESCc1ccc(-c2nnc(CCC(=O)N3CC(c4ccccc4Cl)OCC3C)o2)cc1
InChIInChI=1S/C23H24ClN3O3/c1-15-7-9-17(10-8-15)23-26-25-21(30-23)11-12-22(28)27-13-20(29-14-16(27)2)18-5-3-4-6-19(18)24/h3-10,16,20H,11-14H2,1-2H3
InChIKeyDSLYZGVSFQQDMG-UHFFFAOYSA-N
XLogP4.62
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.92
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-1-[(2R,5R)-2,5-dimethylmorpholin-4-yl]propan-1-one
CID 96509441
4-amino-1-[2-(2-chlorophenyl)-5-methylmorpholin-4-yl]butan-1-one
CID 119324084
1-[2-(2-chlorophenyl)-5-methylmorpholin-4-yl]-4-(methylamino)butan-1-one
CID 119784334
1-[(2S,5S)-2-(2-chlorophenyl)-5-methylmorpholin-4-yl]-2-(methylamino)ethanone
CID 124686478
5-[4-[2-(2-chlorophenyl)-5-methylmorpholin-4-yl]-4-oxobutyl]-1,3-dihydrobenzimidazol-2-one
CID 102556880
1-[2-(2-chlorophenyl)-5-methylmorpholin-4-yl]-2-(1-hydroxycyclopentyl)ethanone
CID 111538497
1-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propan-1-one
CID 8950170
(2S)-2-amino-1-[2-(2-chlorophenyl)-5-methylmorpholin-4-yl]propan-1-one
CID 154740422
3-(2-aminophenyl)-1-[(2S,5R)-5-methyl-2-(2-methylphenyl)morpholin-4-yl]propan-1-one
CID 125120344
methyl 1-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanoyl]piperidine-4-carboxylate
CID 51238602
[(2R,5S)-2-(2-chlorophenyl)-5-methylmorpholin-4-yl]-(6-methyl-3-pyridinyl)methanone
CID 96511165
3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-1-[(2R)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]propan-1-one
CID 97006132

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chlorophenyl)-5-methylmorpholin-4-yl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propan-1-one?
The IUPAC name of 1-[2-(2-chlorophenyl)-5-methylmorpholin-4-yl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propan-1-one (CID 86934595) is 1-[2-(2-chlorophenyl)-5-methylmorpholin-4-yl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propan-1-one.
What is the SMILES notation for 1-[2-(2-chlorophenyl)-5-methylmorpholin-4-yl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propan-1-one?
The canonical SMILES for 1-[2-(2-chlorophenyl)-5-methylmorpholin-4-yl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propan-1-one is Cc1ccc(-c2nnc(CCC(=O)N3CC(c4ccccc4Cl)OCC3C)o2)cc1.
What is the InChIKey of 1-[2-(2-chlorophenyl)-5-methylmorpholin-4-yl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propan-1-one?
The InChIKey is DSLYZGVSFQQDMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN3O3/c1-15-7-9-17(10-8-15)23-26-25-21(30-23)11-12-22(28)27-13-20(29-14-16(27)2)18-5-3-4-6-19(18)24/h3-10,16,20H,11-14H2,1-2H3.
What are the key properties of 1-[2-(2-chlorophenyl)-5-methylmorpholin-4-yl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propan-1-one?
1-[2-(2-chlorophenyl)-5-methylmorpholin-4-yl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propan-1-one has a molecular weight of 425.92 g/mol, XLogP of 4.62, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-chlorophenyl)-5-methylmorpholin-4-yl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propan-1-one is sourced from PubChem (CID 86934595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).