3-(3-chloro-5-methoxy-4-propan-2-yloxyphenyl)-5-phenyl-1,2,4-oxadiazole

C18H17ClN2O3 — CID 59556655

IUPAC3-(3-chloro-5-methoxy-4-propan-2-yloxyphenyl)-5-phenyl-1,2,4-oxadiazole
SMILESCOc1cc(-c2noc(-c3ccccc3)n2)cc(Cl)c1OC(C)C
InChIInChI=1S/C18H17ClN2O3/c1-11(2)23-16-14(19)9-13(10-15(16)22-3)17-20-18(24-21-17)12-7-5-4-6-8-12/h4-11H,1-3H3
InChIKeyJPTUXHKQUIWOEV-UHFFFAOYSA-N
MW344.80 g/mol
LogP4.85
Rot. Bonds5

About 3-(3-chloro-5-methoxy-4-propan-2-yloxyphenyl)-5-phenyl-1,2,4-oxadiazole

3-(3-chloro-5-methoxy-4-propan-2-yloxyphenyl)-5-phenyl-1,2,4-oxadiazole (PubChem CID 59556655) has the molecular formula C18H17ClN2O3 and a molecular weight of 344.80 g/mol. Its IUPAC name is 3-(3-chloro-5-methoxy-4-propan-2-yloxyphenyl)-5-phenyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(3-chloro-5-methoxy-4-propan-2-yloxyphenyl)-5-phenyl-1,2,4-oxadiazole
PubChem CID59556655
Molecular FormulaC18H17ClN2O3
Molecular Weight344.80 g/mol
Exact Mass344.09
IUPAC Name3-(3-chloro-5-methoxy-4-propan-2-yloxyphenyl)-5-phenyl-1,2,4-oxadiazole
SMILESCOc1cc(-c2noc(-c3ccccc3)n2)cc(Cl)c1OC(C)C
InChIInChI=1S/C18H17ClN2O3/c1-11(2)23-16-14(19)9-13(10-15(16)22-3)17-20-18(24-21-17)12-7-5-4-6-8-12/h4-11H,1-3H3
InChIKeyJPTUXHKQUIWOEV-UHFFFAOYSA-N
XLogP4.85
TPSA57.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.80
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-methoxy-5-methyl-4-propan-2-yloxyphenyl)-5-phenyl-1,2,4-oxadiazole
CID 71094125
5-phenyl-3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole
CID 4544688
3-(3,4-dimethoxyphenyl)-5-(4-phenylphenyl)-1,2,4-oxadiazole
CID 8895210
(1S)-1-[3-(3-chloro-4,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 66264441
5-(3,4-dimethoxyphenyl)-3-[3-methoxy-4-(1-phenylethoxy)phenyl]-1,2,4-oxadiazole
CID 46044246
3-[3-(3-chloro-4,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 63349264
5-(3,4-dichlorophenyl)-3-phenyl-1,2,4-oxadiazole
CID 704271
3-chloro-5-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole
CID 112572038
3-(4-methoxyphenyl)-5-(3-propan-2-yloxyphenyl)-1,2,4-oxadiazole
CID 8779241
3-[3-(3-chloro-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-5-yl]benzonitrile
CID 59556739
3-(4-chlorophenyl)-5-(3-propan-2-yloxyphenyl)-1,2,4-oxadiazole
CID 8779237
(1R)-1-[3-(3-chloro-4,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 104915243

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-5-methoxy-4-propan-2-yloxyphenyl)-5-phenyl-1,2,4-oxadiazole?
The IUPAC name of 3-(3-chloro-5-methoxy-4-propan-2-yloxyphenyl)-5-phenyl-1,2,4-oxadiazole (CID 59556655) is 3-(3-chloro-5-methoxy-4-propan-2-yloxyphenyl)-5-phenyl-1,2,4-oxadiazole.
What is the SMILES notation for 3-(3-chloro-5-methoxy-4-propan-2-yloxyphenyl)-5-phenyl-1,2,4-oxadiazole?
The canonical SMILES for 3-(3-chloro-5-methoxy-4-propan-2-yloxyphenyl)-5-phenyl-1,2,4-oxadiazole is COc1cc(-c2noc(-c3ccccc3)n2)cc(Cl)c1OC(C)C.
What is the InChIKey of 3-(3-chloro-5-methoxy-4-propan-2-yloxyphenyl)-5-phenyl-1,2,4-oxadiazole?
The InChIKey is JPTUXHKQUIWOEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O3/c1-11(2)23-16-14(19)9-13(10-15(16)22-3)17-20-18(24-21-17)12-7-5-4-6-8-12/h4-11H,1-3H3.
What are the key properties of 3-(3-chloro-5-methoxy-4-propan-2-yloxyphenyl)-5-phenyl-1,2,4-oxadiazole?
3-(3-chloro-5-methoxy-4-propan-2-yloxyphenyl)-5-phenyl-1,2,4-oxadiazole has a molecular weight of 344.80 g/mol, XLogP of 4.85, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-5-methoxy-4-propan-2-yloxyphenyl)-5-phenyl-1,2,4-oxadiazole is sourced from PubChem (CID 59556655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).