1-[(2R)-5-(4-chlorophenyl)-2-(4-methoxyphenyl)-2H-1,3,4-oxadiazol-3-yl]propan-1-one

C18H17ClN2O3 — CID 957372

IUPAC1-[(2R)-5-(4-chlorophenyl)-2-(4-methoxyphenyl)-2H-1,3,4-oxadiazol-3-yl]propan-1-one
SMILESCCC(=O)N1N=C(c2ccc(Cl)cc2)O[C@@H]1c1ccc(OC)cc1
InChIInChI=1S/C18H17ClN2O3/c1-3-16(22)21-18(13-6-10-15(23-2)11-7-13)24-17(20-21)12-4-8-14(19)9-5-12/h4-11,18H,3H2,1-2H3/t18-/m1/s1
InChIKeyMEYYASUMNTTZDJ-GOSISDBHSA-N
MW344.80 g/mol
LogP3.98
Rot. Bonds4

About 1-[(2R)-5-(4-chlorophenyl)-2-(4-methoxyphenyl)-2H-1,3,4-oxadiazol-3-yl]propan-1-one

1-[(2R)-5-(4-chlorophenyl)-2-(4-methoxyphenyl)-2H-1,3,4-oxadiazol-3-yl]propan-1-one (PubChem CID 957372) has the molecular formula C18H17ClN2O3 and a molecular weight of 344.80 g/mol. Its IUPAC name is 1-[(2R)-5-(4-chlorophenyl)-2-(4-methoxyphenyl)-2H-1,3,4-oxadiazol-3-yl]propan-1-one.

Molecular Properties

Compound Name1-[(2R)-5-(4-chlorophenyl)-2-(4-methoxyphenyl)-2H-1,3,4-oxadiazol-3-yl]propan-1-one
PubChem CID957372
Molecular FormulaC18H17ClN2O3
Molecular Weight344.80 g/mol
Exact Mass344.09
IUPAC Name1-[(2R)-5-(4-chlorophenyl)-2-(4-methoxyphenyl)-2H-1,3,4-oxadiazol-3-yl]propan-1-one
SMILESCCC(=O)N1N=C(c2ccc(Cl)cc2)O[C@@H]1c1ccc(OC)cc1
InChIInChI=1S/C18H17ClN2O3/c1-3-16(22)21-18(13-6-10-15(23-2)11-7-13)24-17(20-21)12-4-8-14(19)9-5-12/h4-11,18H,3H2,1-2H3/t18-/m1/s1
InChIKeyMEYYASUMNTTZDJ-GOSISDBHSA-N
XLogP3.98
TPSA51.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.80
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-chlorophenyl)-2-(4-methoxyphenyl)-3-methyl-2H-1,3,5-oxadiazine-4-thione
CID 134915147
1-[2-(4-chlorophenyl)-5-(4-nitrophenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone
CID 46352302
6-(4-chlorophenyl)-2-(4-methoxyphenyl)-3-(1,2,4-triazol-4-yl)-2H-1,3,5-oxadiazine-4-thione
CID 46236421
[2-[(2R)-3-acetyl-2-(4-methoxyphenyl)-2H-1,3,4-oxadiazol-5-yl]-4-chlorophenyl] acetate
CID 95053147
1-[(2R)-2,5-bis(4-methylphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone
CID 752951
6-(4-chlorophenyl)-3-(2,5-dimethoxyphenyl)-2-(4-methoxyphenyl)-2H-1,3,5-oxadiazine-4-thione
CID 134118251
1-[5-(2,4-dichlorophenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]propan-1-one
CID 4057793
[4-[(2S)-3-acetyl-2-(4-fluorophenyl)-2H-1,3,4-oxadiazol-5-yl]phenyl] acetate
CID 95053156
1-[(3R)-5-(4-bromophenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]propan-1-one
CID 7092205
[4-(3-acetyl-5-pyridin-4-yl-2H-1,3,4-oxadiazol-2-yl)phenyl] acetate
CID 71525299
1-[3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]propan-1-one
CID 175842138
1-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]propan-1-one
CID 2960227

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-5-(4-chlorophenyl)-2-(4-methoxyphenyl)-2H-1,3,4-oxadiazol-3-yl]propan-1-one?
The IUPAC name of 1-[(2R)-5-(4-chlorophenyl)-2-(4-methoxyphenyl)-2H-1,3,4-oxadiazol-3-yl]propan-1-one (CID 957372) is 1-[(2R)-5-(4-chlorophenyl)-2-(4-methoxyphenyl)-2H-1,3,4-oxadiazol-3-yl]propan-1-one.
What is the SMILES notation for 1-[(2R)-5-(4-chlorophenyl)-2-(4-methoxyphenyl)-2H-1,3,4-oxadiazol-3-yl]propan-1-one?
The canonical SMILES for 1-[(2R)-5-(4-chlorophenyl)-2-(4-methoxyphenyl)-2H-1,3,4-oxadiazol-3-yl]propan-1-one is CCC(=O)N1N=C(c2ccc(Cl)cc2)O[C@@H]1c1ccc(OC)cc1.
What is the InChIKey of 1-[(2R)-5-(4-chlorophenyl)-2-(4-methoxyphenyl)-2H-1,3,4-oxadiazol-3-yl]propan-1-one?
The InChIKey is MEYYASUMNTTZDJ-GOSISDBHSA-N. The full InChI is InChI=1S/C18H17ClN2O3/c1-3-16(22)21-18(13-6-10-15(23-2)11-7-13)24-17(20-21)12-4-8-14(19)9-5-12/h4-11,18H,3H2,1-2H3/t18-/m1/s1.
What are the key properties of 1-[(2R)-5-(4-chlorophenyl)-2-(4-methoxyphenyl)-2H-1,3,4-oxadiazol-3-yl]propan-1-one?
1-[(2R)-5-(4-chlorophenyl)-2-(4-methoxyphenyl)-2H-1,3,4-oxadiazol-3-yl]propan-1-one has a molecular weight of 344.80 g/mol, XLogP of 3.98, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-5-(4-chlorophenyl)-2-(4-methoxyphenyl)-2H-1,3,4-oxadiazol-3-yl]propan-1-one is sourced from PubChem (CID 957372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).