5-(4-chlorophenyl)-3-[3-[(1S)-1-phenylethoxy]phenyl]-1,2,4-oxadiazole

C22H17ClN2O2 — CID 93328876

IUPAC5-(4-chlorophenyl)-3-[3-[(1S)-1-phenylethoxy]phenyl]-1,2,4-oxadiazole
SMILESC[C@H](Oc1cccc(-c2noc(-c3ccc(Cl)cc3)n2)c1)c1ccccc1
InChIInChI=1S/C22H17ClN2O2/c1-15(16-6-3-2-4-7-16)26-20-9-5-8-18(14-20)21-24-22(27-25-21)17-10-12-19(23)13-11-17/h2-15H,1H3/t15-/m0/s1
InChIKeyLHGGSAZVRCJSEV-HNNXBMFYSA-N
MW376.84 g/mol
LogP6.20
Rot. Bonds5

About 5-(4-chlorophenyl)-3-[3-[(1S)-1-phenylethoxy]phenyl]-1,2,4-oxadiazole

5-(4-chlorophenyl)-3-[3-[(1S)-1-phenylethoxy]phenyl]-1,2,4-oxadiazole (PubChem CID 93328876) has the molecular formula C22H17ClN2O2 and a molecular weight of 376.84 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-3-[3-[(1S)-1-phenylethoxy]phenyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(4-chlorophenyl)-3-[3-[(1S)-1-phenylethoxy]phenyl]-1,2,4-oxadiazole
PubChem CID93328876
Molecular FormulaC22H17ClN2O2
Molecular Weight376.84 g/mol
Exact Mass376.10
IUPAC Name5-(4-chlorophenyl)-3-[3-[(1S)-1-phenylethoxy]phenyl]-1,2,4-oxadiazole
SMILESC[C@H](Oc1cccc(-c2noc(-c3ccc(Cl)cc3)n2)c1)c1ccccc1
InChIInChI=1S/C22H17ClN2O2/c1-15(16-6-3-2-4-7-16)26-20-9-5-8-18(14-20)21-24-22(27-25-21)17-10-12-19(23)13-11-17/h2-15H,1H3/t15-/m0/s1
InChIKeyLHGGSAZVRCJSEV-HNNXBMFYSA-N
XLogP6.20
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.84
LogP ≤ 56.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-chlorophenyl)-5-(3-propan-2-yloxyphenyl)-1,2,4-oxadiazole
CID 8779237
5-(3,4-dimethoxyphenyl)-3-[3-methoxy-4-(1-phenylethoxy)phenyl]-1,2,4-oxadiazole
CID 46044246
2-[3-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-N-phenylacetamide
CID 45032423
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
CID 95740885
3-(3-chlorophenyl)-5-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 102175113
5-[(1S)-1-(3-chlorophenoxy)ethyl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole
CID 7385204
3-(4-methoxyphenyl)-5-(3-propan-2-yloxyphenyl)-1,2,4-oxadiazole
CID 8779241
3-(3-methoxyphenyl)-5-[(1R)-1-phenoxyethyl]-1,2,4-oxadiazole
CID 7356906
3-(4-bromophenyl)-5-[(1R)-1-(3-chlorophenoxy)ethyl]-1,2,4-oxadiazole
CID 1313859
5-(4-chlorophenyl)-3-[3-[(2,5-difluorophenyl)methoxy]phenyl]-1,2,4-oxadiazole
CID 46044035
5-(3-chlorophenyl)-3-(4-chlorophenyl)-1,2,4-oxadiazole
CID 17370674
2-[3-(5-phenyl-1,2,4-oxadiazol-3-yl)phenyl]propanedioic acid
CID 171475871

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-3-[3-[(1S)-1-phenylethoxy]phenyl]-1,2,4-oxadiazole?
The IUPAC name of 5-(4-chlorophenyl)-3-[3-[(1S)-1-phenylethoxy]phenyl]-1,2,4-oxadiazole (CID 93328876) is 5-(4-chlorophenyl)-3-[3-[(1S)-1-phenylethoxy]phenyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-(4-chlorophenyl)-3-[3-[(1S)-1-phenylethoxy]phenyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-(4-chlorophenyl)-3-[3-[(1S)-1-phenylethoxy]phenyl]-1,2,4-oxadiazole is C[C@H](Oc1cccc(-c2noc(-c3ccc(Cl)cc3)n2)c1)c1ccccc1.
What is the InChIKey of 5-(4-chlorophenyl)-3-[3-[(1S)-1-phenylethoxy]phenyl]-1,2,4-oxadiazole?
The InChIKey is LHGGSAZVRCJSEV-HNNXBMFYSA-N. The full InChI is InChI=1S/C22H17ClN2O2/c1-15(16-6-3-2-4-7-16)26-20-9-5-8-18(14-20)21-24-22(27-25-21)17-10-12-19(23)13-11-17/h2-15H,1H3/t15-/m0/s1.
What are the key properties of 5-(4-chlorophenyl)-3-[3-[(1S)-1-phenylethoxy]phenyl]-1,2,4-oxadiazole?
5-(4-chlorophenyl)-3-[3-[(1S)-1-phenylethoxy]phenyl]-1,2,4-oxadiazole has a molecular weight of 376.84 g/mol, XLogP of 6.20, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-3-[3-[(1S)-1-phenylethoxy]phenyl]-1,2,4-oxadiazole is sourced from PubChem (CID 93328876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).