N-(3,5-dimethoxyphenyl)-5-(2-ethoxyphenyl)-1,3,4-oxadiazol-2-amine

C18H19N3O4 — CID 157018633

IUPACN-(3,5-dimethoxyphenyl)-5-(2-ethoxyphenyl)-1,3,4-oxadiazol-2-amine
SMILESCCOc1ccccc1-c1nnc(Nc2cc(OC)cc(OC)c2)o1
InChIInChI=1S/C18H19N3O4/c1-4-24-16-8-6-5-7-15(16)17-20-21-18(25-17)19-12-9-13(22-2)11-14(10-12)23-3/h5-11H,4H2,1-3H3,(H,19,21)
InChIKeyVJLFPXMVACOZAB-UHFFFAOYSA-N
MW341.37 g/mol
LogP3.90
Rot. Bonds7

About N-(3,5-dimethoxyphenyl)-5-(2-ethoxyphenyl)-1,3,4-oxadiazol-2-amine

N-(3,5-dimethoxyphenyl)-5-(2-ethoxyphenyl)-1,3,4-oxadiazol-2-amine (PubChem CID 157018633) has the molecular formula C18H19N3O4 and a molecular weight of 341.37 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-5-(2-ethoxyphenyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-5-(2-ethoxyphenyl)-1,3,4-oxadiazol-2-amine
PubChem CID157018633
Molecular FormulaC18H19N3O4
Molecular Weight341.37 g/mol
Exact Mass341.14
IUPAC NameN-(3,5-dimethoxyphenyl)-5-(2-ethoxyphenyl)-1,3,4-oxadiazol-2-amine
SMILESCCOc1ccccc1-c1nnc(Nc2cc(OC)cc(OC)c2)o1
InChIInChI=1S/C18H19N3O4/c1-4-24-16-8-6-5-7-15(16)17-20-21-18(25-17)19-12-9-13(22-2)11-14(10-12)23-3/h5-11H,4H2,1-3H3,(H,19,21)
InChIKeyVJLFPXMVACOZAB-UHFFFAOYSA-N
XLogP3.90
TPSA78.64 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[5-(2-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2,2,2-trifluoroacetamide
CID 92644483
[5-(2-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]methanethiol
CID 82159229
N-phenyl-5-[2-(3,4,5-trimethoxyanilino)-3-pyridinyl]-1,3,4-oxadiazol-2-amine
CID 90667490
2-(2-chloroethyl)-5-(2-ethoxyphenyl)-1,3,4-oxadiazole
CID 39356118
N-(3-methoxyphenyl)-5-[2-[(4-methoxyphenyl)methylamino]-3-pyridinyl]-1,3,4-oxadiazol-2-amine
CID 10069735
N-(3,5-dimethoxyphenyl)-5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106966631
N-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]butanamide
CID 3359112
2-(3,5-dimethoxyphenyl)-5-[(2-ethoxyphenyl)methylsulfanyl]-1,3,4-oxadiazole
CID 4794491
N-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-phenoxypropanamide
CID 5094803
3-[5-(2-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]propanoic acid
CID 39362077
2-[[5-(2-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(2-methoxyphenyl)ethanone
CID 18192530
N-[2-(2-ethoxyphenyl)-4-oxochromen-7-yl]-3,5-dimethoxybenzamide
CID 98476312

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-5-(2-ethoxyphenyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-(3,5-dimethoxyphenyl)-5-(2-ethoxyphenyl)-1,3,4-oxadiazol-2-amine (CID 157018633) is N-(3,5-dimethoxyphenyl)-5-(2-ethoxyphenyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-5-(2-ethoxyphenyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-5-(2-ethoxyphenyl)-1,3,4-oxadiazol-2-amine is CCOc1ccccc1-c1nnc(Nc2cc(OC)cc(OC)c2)o1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-5-(2-ethoxyphenyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is VJLFPXMVACOZAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4/c1-4-24-16-8-6-5-7-15(16)17-20-21-18(25-17)19-12-9-13(22-2)11-14(10-12)23-3/h5-11H,4H2,1-3H3,(H,19,21).
What are the key properties of N-(3,5-dimethoxyphenyl)-5-(2-ethoxyphenyl)-1,3,4-oxadiazol-2-amine?
N-(3,5-dimethoxyphenyl)-5-(2-ethoxyphenyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 341.37 g/mol, XLogP of 3.90, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxyphenyl)-5-(2-ethoxyphenyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 157018633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).