2-(3-bromo-4-methoxyphenyl)-5-(3,4-diethoxyphenyl)-1,3,4-oxadiazole

C19H19BrN2O4 — CID 166198597

IUPAC2-(3-bromo-4-methoxyphenyl)-5-(3,4-diethoxyphenyl)-1,3,4-oxadiazole
SMILESCCOc1ccc(-c2nnc(-c3ccc(OC)c(Br)c3)o2)cc1OCC
InChIInChI=1S/C19H19BrN2O4/c1-4-24-16-9-7-13(11-17(16)25-5-2)19-22-21-18(26-19)12-6-8-15(23-3)14(20)10-12/h6-11H,4-5H2,1-3H3
InChIKeyAOGHTAMVTDQSSU-UHFFFAOYSA-N
MW419.28 g/mol
LogP4.97
Rot. Bonds7

About 2-(3-bromo-4-methoxyphenyl)-5-(3,4-diethoxyphenyl)-1,3,4-oxadiazole

2-(3-bromo-4-methoxyphenyl)-5-(3,4-diethoxyphenyl)-1,3,4-oxadiazole (PubChem CID 166198597) has the molecular formula C19H19BrN2O4 and a molecular weight of 419.28 g/mol. Its IUPAC name is 2-(3-bromo-4-methoxyphenyl)-5-(3,4-diethoxyphenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(3-bromo-4-methoxyphenyl)-5-(3,4-diethoxyphenyl)-1,3,4-oxadiazole
PubChem CID166198597
Molecular FormulaC19H19BrN2O4
Molecular Weight419.28 g/mol
Exact Mass418.05
IUPAC Name2-(3-bromo-4-methoxyphenyl)-5-(3,4-diethoxyphenyl)-1,3,4-oxadiazole
SMILESCCOc1ccc(-c2nnc(-c3ccc(OC)c(Br)c3)o2)cc1OCC
InChIInChI=1S/C19H19BrN2O4/c1-4-24-16-9-7-13(11-17(16)25-5-2)19-22-21-18(26-19)12-6-8-15(23-3)14(20)10-12/h6-11H,4-5H2,1-3H3
InChIKeyAOGHTAMVTDQSSU-UHFFFAOYSA-N
XLogP4.97
TPSA66.61 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.28
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-bromo-5-(3-bromo-4-methoxyphenyl)-1,3,4-oxadiazole
CID 114771100
2-(3,4-diethoxyphenyl)-5-methyl-1,3,4-oxadiazole
CID 71563513
2-(3,4-diethoxyphenyl)-5-pyridin-3-yl-1,3,4-oxadiazole
CID 655421
2-[5-(3-bromo-4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-ethylethanamine
CID 62163085
N-[[5-(3-bromo-4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine
CID 62137567
methyl 5-(3-bromo-4-methoxyphenyl)-1,3,4-oxadiazole-2-carboxylate
CID 112619105
2-[(3,4-diethoxyphenyl)methyl]-5-[4-(difluoromethoxy)-3-methoxyphenyl]-1,3,4-oxadiazole
CID 19542580
N-[5-(3,4-diethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-methoxybenzamide
CID 43975922
5-(2-bromophenyl)-3-(3-ethoxy-4-methoxyphenyl)-1,2,4-oxadiazole
CID 2979292
3-cyclopropyl-5-[5-(4-ethoxy-3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-[1,2]oxazolo[5,4-b]pyridine
CID 56804581
2,5-bis(4-ethoxy-3-methoxyphenyl)-3,4-dimethylfuran
CID 11069311
N-[5-(3,4-diethoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-methoxybenzamide
CID 43975865

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-methoxyphenyl)-5-(3,4-diethoxyphenyl)-1,3,4-oxadiazole?
The IUPAC name of 2-(3-bromo-4-methoxyphenyl)-5-(3,4-diethoxyphenyl)-1,3,4-oxadiazole (CID 166198597) is 2-(3-bromo-4-methoxyphenyl)-5-(3,4-diethoxyphenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(3-bromo-4-methoxyphenyl)-5-(3,4-diethoxyphenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(3-bromo-4-methoxyphenyl)-5-(3,4-diethoxyphenyl)-1,3,4-oxadiazole is CCOc1ccc(-c2nnc(-c3ccc(OC)c(Br)c3)o2)cc1OCC.
What is the InChIKey of 2-(3-bromo-4-methoxyphenyl)-5-(3,4-diethoxyphenyl)-1,3,4-oxadiazole?
The InChIKey is AOGHTAMVTDQSSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrN2O4/c1-4-24-16-9-7-13(11-17(16)25-5-2)19-22-21-18(26-19)12-6-8-15(23-3)14(20)10-12/h6-11H,4-5H2,1-3H3.
What are the key properties of 2-(3-bromo-4-methoxyphenyl)-5-(3,4-diethoxyphenyl)-1,3,4-oxadiazole?
2-(3-bromo-4-methoxyphenyl)-5-(3,4-diethoxyphenyl)-1,3,4-oxadiazole has a molecular weight of 419.28 g/mol, XLogP of 4.97, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-methoxyphenyl)-5-(3,4-diethoxyphenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 166198597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).