4-[5-(4-amino-2,3-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-2,3-dimethylaniline

C18H20N4O — CID 19829029

IUPAC4-[5-(4-amino-2,3-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-2,3-dimethylaniline
SMILESCc1c(N)ccc(-c2nnc(-c3ccc(N)c(C)c3C)o2)c1C
InChIInChI=1S/C18H20N4O/c1-9-11(3)15(19)7-5-13(9)17-21-22-18(23-17)14-6-8-16(20)12(4)10(14)2/h5-8H,19-20H2,1-4H3
InChIKeyAYODIDLADXZGBE-UHFFFAOYSA-N
MW308.39 g/mol
LogP3.80
Rot. Bonds2

About 4-[5-(4-amino-2,3-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-2,3-dimethylaniline

4-[5-(4-amino-2,3-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-2,3-dimethylaniline (PubChem CID 19829029) has the molecular formula C18H20N4O and a molecular weight of 308.39 g/mol. Its IUPAC name is 4-[5-(4-amino-2,3-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-2,3-dimethylaniline.

Molecular Properties

Compound Name4-[5-(4-amino-2,3-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-2,3-dimethylaniline
PubChem CID19829029
Molecular FormulaC18H20N4O
Molecular Weight308.39 g/mol
Exact Mass308.16
IUPAC Name4-[5-(4-amino-2,3-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-2,3-dimethylaniline
SMILESCc1c(N)ccc(-c2nnc(-c3ccc(N)c(C)c3C)o2)c1C
InChIInChI=1S/C18H20N4O/c1-9-11(3)15(19)7-5-13(9)17-21-22-18(23-17)14-6-8-16(20)12(4)10(14)2/h5-8H,19-20H2,1-4H3
InChIKeyAYODIDLADXZGBE-UHFFFAOYSA-N
XLogP3.80
TPSA90.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-amino-2,3-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-2,3-dimethylaniline?
The IUPAC name of 4-[5-(4-amino-2,3-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-2,3-dimethylaniline (CID 19829029) is 4-[5-(4-amino-2,3-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-2,3-dimethylaniline.
What is the SMILES notation for 4-[5-(4-amino-2,3-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-2,3-dimethylaniline?
The canonical SMILES for 4-[5-(4-amino-2,3-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-2,3-dimethylaniline is Cc1c(N)ccc(-c2nnc(-c3ccc(N)c(C)c3C)o2)c1C.
What is the InChIKey of 4-[5-(4-amino-2,3-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-2,3-dimethylaniline?
The InChIKey is AYODIDLADXZGBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c1-9-11(3)15(19)7-5-13(9)17-21-22-18(23-17)14-6-8-16(20)12(4)10(14)2/h5-8H,19-20H2,1-4H3.
What are the key properties of 4-[5-(4-amino-2,3-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-2,3-dimethylaniline?
4-[5-(4-amino-2,3-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-2,3-dimethylaniline has a molecular weight of 308.39 g/mol, XLogP of 3.80, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-amino-2,3-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-2,3-dimethylaniline is sourced from PubChem (CID 19829029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).