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

C19H17N3O4 — CID 53141101

IUPAC5-[5-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-ethyl-1,3-benzoxazole
SMILESCCc1nc2cc(-c3noc(-c4cc(OC)cc(OC)c4)n3)ccc2o1
InChIInChI=1S/C19H17N3O4/c1-4-17-20-15-9-11(5-6-16(15)25-17)18-21-19(26-22-18)12-7-13(23-2)10-14(8-12)24-3/h5-10H,4H2,1-3H3
InChIKeyUEWGCLNVZNPEAL-UHFFFAOYSA-N
MW351.36 g/mol
LogP4.12
Rot. Bonds5

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

5-[5-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-ethyl-1,3-benzoxazole (PubChem CID 53141101) has the molecular formula C19H17N3O4 and a molecular weight of 351.36 g/mol. Its IUPAC name is 5-[5-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-ethyl-1,3-benzoxazole.

Molecular Properties

Compound Name5-[5-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-ethyl-1,3-benzoxazole
PubChem CID53141101
Molecular FormulaC19H17N3O4
Molecular Weight351.36 g/mol
Exact Mass351.12
IUPAC Name5-[5-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-ethyl-1,3-benzoxazole
SMILESCCc1nc2cc(-c3noc(-c4cc(OC)cc(OC)c4)n3)ccc2o1
InChIInChI=1S/C19H17N3O4/c1-4-17-20-15-9-11(5-6-16(15)25-17)18-21-19(26-22-18)12-7-13(23-2)10-14(8-12)24-3/h5-10H,4H2,1-3H3
InChIKeyUEWGCLNVZNPEAL-UHFFFAOYSA-N
XLogP4.12
TPSA83.41 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.36
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-ethyl-5-[5-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]-1,3-benzoxazole
CID 53141108
5-[5-(2-bromophenyl)-1,2,4-oxadiazol-3-yl]-2-ethyl-1,3-benzoxazole
CID 53141122
2-ethyl-5-[5-(3-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]-1,3-benzoxazole
CID 53141093
5-[5-[(2-bromophenyl)methyl]-1,2,4-oxadiazol-3-yl]-2-ethyl-1,3-benzoxazole
CID 53141081
5-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)-2-ethyl-1,3-benzoxazole
CID 53141117
2-ethyl-5-[5-(4,5,6,7-tetrahydro-1H-indazol-3-yl)-1,2,4-oxadiazol-3-yl]-1,3-benzoxazole
CID 53141163
2-ethyl-5-[5-[(2-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]-1,3-benzoxazole
CID 53141178
N-[[3-(2-ethyl-1,3-benzoxazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
CID 53141079
5-[5-[(4-methoxyphenoxy)methyl]-1,2,4-oxadiazol-3-yl]-2-methyl-1,3-benzoxazole
CID 53141067
2-ethyl-5-[5-(1-phenylcyclopropyl)-1,2,4-oxadiazol-3-yl]-1,3-benzoxazole
CID 53141127
2-methyl-5-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]-1,3-benzoxazole
CID 53140993
5-(3,5-dimethoxyphenyl)-3-(2-ethoxyquinolin-3-yl)-1,2,4-oxadiazole
CID 4552356

Frequently Asked Questions

What is the IUPAC name of 5-[5-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-ethyl-1,3-benzoxazole?
The IUPAC name of 5-[5-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-ethyl-1,3-benzoxazole (CID 53141101) is 5-[5-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-ethyl-1,3-benzoxazole.
What is the SMILES notation for 5-[5-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-ethyl-1,3-benzoxazole?
The canonical SMILES for 5-[5-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-ethyl-1,3-benzoxazole is CCc1nc2cc(-c3noc(-c4cc(OC)cc(OC)c4)n3)ccc2o1.
What is the InChIKey of 5-[5-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-ethyl-1,3-benzoxazole?
The InChIKey is UEWGCLNVZNPEAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O4/c1-4-17-20-15-9-11(5-6-16(15)25-17)18-21-19(26-22-18)12-7-13(23-2)10-14(8-12)24-3/h5-10H,4H2,1-3H3.
What are the key properties of 5-[5-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-ethyl-1,3-benzoxazole?
5-[5-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-ethyl-1,3-benzoxazole has a molecular weight of 351.36 g/mol, XLogP of 4.12, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-ethyl-1,3-benzoxazole is sourced from PubChem (CID 53141101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).