3-(2-chlorophenyl)sulfanyl-1-[(3R)-3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]propan-1-one

C15H16ClN3O3S — CID 97331620

IUPAC3-(2-chlorophenyl)sulfanyl-1-[(3R)-3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]propan-1-one
SMILESO=C(CCSc1ccccc1Cl)N1CCOC[C@H]1c1ncon1
InChIInChI=1S/C15H16ClN3O3S/c16-11-3-1-2-4-13(11)23-8-5-14(20)19-6-7-21-9-12(19)15-17-10-22-18-15/h1-4,10,12H,5-9H2/t12-/m0/s1
InChIKeyQYEYRHYTKNYCNT-LBPRGKRZSA-N
MW353.83 g/mol
LogP2.81
Rot. Bonds5

About 3-(2-chlorophenyl)sulfanyl-1-[(3R)-3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]propan-1-one

3-(2-chlorophenyl)sulfanyl-1-[(3R)-3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]propan-1-one (PubChem CID 97331620) has the molecular formula C15H16ClN3O3S and a molecular weight of 353.83 g/mol. Its IUPAC name is 3-(2-chlorophenyl)sulfanyl-1-[(3R)-3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]propan-1-one.

Molecular Properties

Compound Name3-(2-chlorophenyl)sulfanyl-1-[(3R)-3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]propan-1-one
PubChem CID97331620
Molecular FormulaC15H16ClN3O3S
Molecular Weight353.83 g/mol
Exact Mass353.06
IUPAC Name3-(2-chlorophenyl)sulfanyl-1-[(3R)-3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]propan-1-one
SMILESO=C(CCSc1ccccc1Cl)N1CCOC[C@H]1c1ncon1
InChIInChI=1S/C15H16ClN3O3S/c16-11-3-1-2-4-13(11)23-8-5-14(20)19-6-7-21-9-12(19)15-17-10-22-18-15/h1-4,10,12H,5-9H2/t12-/m0/s1
InChIKeyQYEYRHYTKNYCNT-LBPRGKRZSA-N
XLogP2.81
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.83
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-indol-1-yl-1-[3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]propan-1-one
CID 75470511
2-naphthalen-2-yloxy-1-[(3R)-3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]ethanone
CID 97331604
2-(4-methylphenyl)-1-[(3S)-3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]ethanone
CID 97252445
2-(cyclopropylmethoxy)-1-[3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]ethanone
CID 127772425
2-(2,5-dimethylphenoxy)-1-[(3S)-3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]ethanone
CID 97331565
3-(3,5-dimethylphenoxy)-1-[3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]propan-1-one
CID 75470555
[4-(difluoromethylsulfanyl)phenyl]-[3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone
CID 75470522
3-(3-chlorophenyl)-1-[3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]prop-2-en-1-one
CID 126769896
(E)-3-(3-chlorophenyl)-1-[3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]prop-2-en-1-one
CID 75470569
2-(6-chloro-1H-indol-3-yl)-1-[(3S)-3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]ethanone
CID 97331689
1-[3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]-2-[3-(2,2,2-trifluoroethoxy)phenyl]ethanone
CID 136521396
[(3R)-3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]-(4-phenoxy-2-pyridinyl)methanone
CID 97341023

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)sulfanyl-1-[(3R)-3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]propan-1-one?
The IUPAC name of 3-(2-chlorophenyl)sulfanyl-1-[(3R)-3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]propan-1-one (CID 97331620) is 3-(2-chlorophenyl)sulfanyl-1-[(3R)-3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]propan-1-one.
What is the SMILES notation for 3-(2-chlorophenyl)sulfanyl-1-[(3R)-3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]propan-1-one?
The canonical SMILES for 3-(2-chlorophenyl)sulfanyl-1-[(3R)-3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]propan-1-one is O=C(CCSc1ccccc1Cl)N1CCOC[C@H]1c1ncon1.
What is the InChIKey of 3-(2-chlorophenyl)sulfanyl-1-[(3R)-3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]propan-1-one?
The InChIKey is QYEYRHYTKNYCNT-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H16ClN3O3S/c16-11-3-1-2-4-13(11)23-8-5-14(20)19-6-7-21-9-12(19)15-17-10-22-18-15/h1-4,10,12H,5-9H2/t12-/m0/s1.
What are the key properties of 3-(2-chlorophenyl)sulfanyl-1-[(3R)-3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]propan-1-one?
3-(2-chlorophenyl)sulfanyl-1-[(3R)-3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]propan-1-one has a molecular weight of 353.83 g/mol, XLogP of 2.81, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)sulfanyl-1-[(3R)-3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]propan-1-one is sourced from PubChem (CID 97331620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).