4-[5-[4-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-yl]aniline

C16H16N4O — CID 101044631

IUPAC4-[5-[4-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-yl]aniline
SMILESCN(C)c1ccc(-c2nnc(-c3ccc(N)cc3)o2)cc1
InChIInChI=1S/C16H16N4O/c1-20(2)14-9-5-12(6-10-14)16-19-18-15(21-16)11-3-7-13(17)8-4-11/h3-10H,17H2,1-2H3
InChIKeyIISCPMBBMUXMPA-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.05
Rot. Bonds3

About 4-[5-[4-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-yl]aniline

4-[5-[4-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-yl]aniline (PubChem CID 101044631) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is 4-[5-[4-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-yl]aniline.

Molecular Properties

Compound Name4-[5-[4-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-yl]aniline
PubChem CID101044631
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC Name4-[5-[4-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-yl]aniline
SMILESCN(C)c1ccc(-c2nnc(-c3ccc(N)cc3)o2)cc1
InChIInChI=1S/C16H16N4O/c1-20(2)14-9-5-12(6-10-14)16-19-18-15(21-16)11-3-7-13(17)8-4-11/h3-10H,17H2,1-2H3
InChIKeyIISCPMBBMUXMPA-UHFFFAOYSA-N
XLogP3.05
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4,4'-(1,3,4-Oxadiazole-2,5-diyl)dianiline
CID 75505
4-(5-Phenyl-1,3,4-oxadiazol-2-yl)aniline
CID 818368
2-methyl-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide
CID 880165
4-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N,N-dimethylaniline
CID 743142
N,N-dimethyl-4-(5-phenyl-1,3,4-oxadiazol-2-yl)aniline
CID 671915
Piperazine, 1-phenyl-4-((5-phenyl-1,3,4-oxadiazol-2-yl)methyl)-
CID 3080234
Benzenamine, 4,4'-(1,3,4-oxadiazole-2,5-diyl)bis[N,N-diethyl-
CID 74301
4-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N,N-dimethylaniline
CID 865618
N-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]acetamide
CID 1231059
4-[5-(4-Phenylphenyl)-1,3,4-oxadiazol-2-yl]aniline
CID 628602
N-{3-[5-(3-Propionylamino-phenyl)-[1,3,4]oxadiazol-2-yl]-phenyl}-propionamide
CID 1921194
N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide
CID 661234

Frequently Asked Questions

What is the IUPAC name of 4-[5-[4-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-yl]aniline?
The IUPAC name of 4-[5-[4-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-yl]aniline (CID 101044631) is 4-[5-[4-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-yl]aniline.
What is the SMILES notation for 4-[5-[4-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-yl]aniline?
The canonical SMILES for 4-[5-[4-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-yl]aniline is CN(C)c1ccc(-c2nnc(-c3ccc(N)cc3)o2)cc1.
What is the InChIKey of 4-[5-[4-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-yl]aniline?
The InChIKey is IISCPMBBMUXMPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c1-20(2)14-9-5-12(6-10-14)16-19-18-15(21-16)11-3-7-13(17)8-4-11/h3-10H,17H2,1-2H3.
What are the key properties of 4-[5-[4-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-yl]aniline?
4-[5-[4-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-yl]aniline has a molecular weight of 280.33 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[4-(dimethylamino)phenyl]-1,3,4-oxadiazol-2-yl]aniline is sourced from PubChem (CID 101044631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).