methyl 4-[[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methylamino]benzoate

C19H19N3O5 — CID 110653204

IUPACmethyl 4-[[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methylamino]benzoate
SMILESCOC(=O)c1ccc(NCc2nnc(-c3ccc(OC)c(OC)c3)o2)cc1
InChIInChI=1S/C19H19N3O5/c1-24-15-9-6-13(10-16(15)25-2)18-22-21-17(27-18)11-20-14-7-4-12(5-8-14)19(23)26-3/h4-10,20H,11H2,1-3H3
InChIKeyDXVMQAKYXKRBHB-UHFFFAOYSA-N
MW369.38 g/mol
LogP3.15
Rot. Bonds7

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

methyl 4-[[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methylamino]benzoate (PubChem CID 110653204) has the molecular formula C19H19N3O5 and a molecular weight of 369.38 g/mol. Its IUPAC name is methyl 4-[[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methylamino]benzoate.

Molecular Properties

Compound Namemethyl 4-[[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methylamino]benzoate
PubChem CID110653204
Molecular FormulaC19H19N3O5
Molecular Weight369.38 g/mol
Exact Mass369.13
IUPAC Namemethyl 4-[[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methylamino]benzoate
SMILESCOC(=O)c1ccc(NCc2nnc(-c3ccc(OC)c(OC)c3)o2)cc1
InChIInChI=1S/C19H19N3O5/c1-24-15-9-6-13(10-16(15)25-2)18-22-21-17(27-18)11-20-14-7-4-12(5-8-14)19(23)26-3/h4-10,20H,11H2,1-3H3
InChIKeyDXVMQAKYXKRBHB-UHFFFAOYSA-N
XLogP3.15
TPSA95.71 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.38
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

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Related Compounds

4-bromo-N-[[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]aniline
CID 110653182
N-[[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-3,5-dimethylaniline
CID 110653155
3,4-dimethoxy-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]aniline
CID 18870590
ethyl 4-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methylamino]benzoate
CID 78793128
methyl 4-(3,4-dimethoxyphenyl)benzoate
CID 14570120
propyl 4-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methylamino]benzoate
CID 78822750
2-bromo-N-[[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]aniline
CID 110653218
methyl 4-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethylamino]benzoate
CID 110653773
5-chloro-N-[[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylaniline
CID 110653175
N-(4-methoxyphenyl)-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylamino]benzamide
CID 78793077
4-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]butanoic acid
CID 39400194
N-[[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-phenylethanamine
CID 110653110

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methylamino]benzoate?
The IUPAC name of methyl 4-[[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methylamino]benzoate (CID 110653204) is methyl 4-[[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methylamino]benzoate.
What is the SMILES notation for methyl 4-[[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methylamino]benzoate?
The canonical SMILES for methyl 4-[[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methylamino]benzoate is COC(=O)c1ccc(NCc2nnc(-c3ccc(OC)c(OC)c3)o2)cc1.
What is the InChIKey of methyl 4-[[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methylamino]benzoate?
The InChIKey is DXVMQAKYXKRBHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O5/c1-24-15-9-6-13(10-16(15)25-2)18-22-21-17(27-18)11-20-14-7-4-12(5-8-14)19(23)26-3/h4-10,20H,11H2,1-3H3.
What are the key properties of methyl 4-[[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methylamino]benzoate?
methyl 4-[[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methylamino]benzoate has a molecular weight of 369.38 g/mol, XLogP of 3.15, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methylamino]benzoate is sourced from PubChem (CID 110653204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).