5-[5-[2-(3,4-dimethoxyphenyl)ethenyl]-1,2,4-oxadiazol-3-yl]-2-methyl-1,3-benzoxazole

C20H17N3O4 — CID 71842801

IUPAC5-[5-[2-(3,4-dimethoxyphenyl)ethenyl]-1,2,4-oxadiazol-3-yl]-2-methyl-1,3-benzoxazole
SMILESCOc1ccc(C=Cc2nc(-c3ccc4oc(C)nc4c3)no2)cc1OC
InChIInChI=1S/C20H17N3O4/c1-12-21-15-11-14(6-8-16(15)26-12)20-22-19(27-23-20)9-5-13-4-7-17(24-2)18(10-13)25-3/h4-11H,1-3H3
InChIKeyYZWSKSLLZDAEPA-UHFFFAOYSA-N
MW363.37 g/mol
LogP4.37
Rot. Bonds5

About 5-[5-[2-(3,4-dimethoxyphenyl)ethenyl]-1,2,4-oxadiazol-3-yl]-2-methyl-1,3-benzoxazole

5-[5-[2-(3,4-dimethoxyphenyl)ethenyl]-1,2,4-oxadiazol-3-yl]-2-methyl-1,3-benzoxazole (PubChem CID 71842801) has the molecular formula C20H17N3O4 and a molecular weight of 363.37 g/mol. Its IUPAC name is 5-[5-[2-(3,4-dimethoxyphenyl)ethenyl]-1,2,4-oxadiazol-3-yl]-2-methyl-1,3-benzoxazole.

Molecular Properties

Compound Name5-[5-[2-(3,4-dimethoxyphenyl)ethenyl]-1,2,4-oxadiazol-3-yl]-2-methyl-1,3-benzoxazole
PubChem CID71842801
Molecular FormulaC20H17N3O4
Molecular Weight363.37 g/mol
Exact Mass363.12
IUPAC Name5-[5-[2-(3,4-dimethoxyphenyl)ethenyl]-1,2,4-oxadiazol-3-yl]-2-methyl-1,3-benzoxazole
SMILESCOc1ccc(C=Cc2nc(-c3ccc4oc(C)nc4c3)no2)cc1OC
InChIInChI=1S/C20H17N3O4/c1-12-21-15-11-14(6-8-16(15)26-12)20-22-19(27-23-20)9-5-13-4-7-17(24-2)18(10-13)25-3/h4-11H,1-3H3
InChIKeyYZWSKSLLZDAEPA-UHFFFAOYSA-N
XLogP4.37
TPSA83.41 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.37
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-[5-[2-(3,4-dimethoxyphenyl)ethenyl]-1,2,4-oxadiazol-3-yl]-2-methyl-1,3-benzoxazole with MolForge

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Related Compounds

2-methyl-5-[5-[(E)-2-(5-methylfuran-2-yl)ethenyl]-1,2,4-oxadiazol-3-yl]-1,3-benzoxazole
CID 53141055
3-(3,4-dimethoxyphenyl)-5-(2-phenylethenyl)-1,2,4-oxadiazole
CID 2994581
6-[5-[2-(3,4-dimethoxyphenyl)ethenyl]-1,2,4-oxadiazol-3-yl]-3-ethyl-1,3-benzoxazol-2-one
CID 71842821
6-[5-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-1,2,4-oxadiazol-3-yl]-3-methyl-1-propylquinoxalin-2-one
CID 53065252
2-methyl-5-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]-1,3-benzoxazole
CID 53140993
2-[2-(3,4-dimethoxyphenyl)ethenyl]-1,3-benzoxazole
CID 2729280
5-[5-[(4-methoxyphenoxy)methyl]-1,2,4-oxadiazol-3-yl]-2-methyl-1,3-benzoxazole
CID 53141067
5-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-3-octyl-1,2,4-oxadiazole
CID 53374537
2-methyl-5-[5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]-1,3-benzoxazole
CID 53141075
(2-methyl-1,3-benzoxazol-6-yl) (E)-3-(3,4-dimethoxyphenyl)prop-2-enoate
CID 110494476
3-[(3,4-dimethoxyphenyl)methyl]-5-[2-(4-methylphenyl)ethenyl]-1,2,4-oxadiazole
CID 15995429
5-phenyl-2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1,3-benzoxazole
CID 6006710

Frequently Asked Questions

What is the IUPAC name of 5-[5-[2-(3,4-dimethoxyphenyl)ethenyl]-1,2,4-oxadiazol-3-yl]-2-methyl-1,3-benzoxazole?
The IUPAC name of 5-[5-[2-(3,4-dimethoxyphenyl)ethenyl]-1,2,4-oxadiazol-3-yl]-2-methyl-1,3-benzoxazole (CID 71842801) is 5-[5-[2-(3,4-dimethoxyphenyl)ethenyl]-1,2,4-oxadiazol-3-yl]-2-methyl-1,3-benzoxazole.
What is the SMILES notation for 5-[5-[2-(3,4-dimethoxyphenyl)ethenyl]-1,2,4-oxadiazol-3-yl]-2-methyl-1,3-benzoxazole?
The canonical SMILES for 5-[5-[2-(3,4-dimethoxyphenyl)ethenyl]-1,2,4-oxadiazol-3-yl]-2-methyl-1,3-benzoxazole is COc1ccc(C=Cc2nc(-c3ccc4oc(C)nc4c3)no2)cc1OC.
What is the InChIKey of 5-[5-[2-(3,4-dimethoxyphenyl)ethenyl]-1,2,4-oxadiazol-3-yl]-2-methyl-1,3-benzoxazole?
The InChIKey is YZWSKSLLZDAEPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O4/c1-12-21-15-11-14(6-8-16(15)26-12)20-22-19(27-23-20)9-5-13-4-7-17(24-2)18(10-13)25-3/h4-11H,1-3H3.
What are the key properties of 5-[5-[2-(3,4-dimethoxyphenyl)ethenyl]-1,2,4-oxadiazol-3-yl]-2-methyl-1,3-benzoxazole?
5-[5-[2-(3,4-dimethoxyphenyl)ethenyl]-1,2,4-oxadiazol-3-yl]-2-methyl-1,3-benzoxazole has a molecular weight of 363.37 g/mol, XLogP of 4.37, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[2-(3,4-dimethoxyphenyl)ethenyl]-1,2,4-oxadiazol-3-yl]-2-methyl-1,3-benzoxazole is sourced from PubChem (CID 71842801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).