2,4-dimethyl-5-(5-phenyl-1,3,4-oxadiazol-2-yl)aniline

C16H15N3O — CID 102706038

IUPAC2,4-dimethyl-5-(5-phenyl-1,3,4-oxadiazol-2-yl)aniline
SMILESCc1cc(C)c(-c2nnc(-c3ccccc3)o2)cc1N
InChIInChI=1S/C16H15N3O/c1-10-8-11(2)14(17)9-13(10)16-19-18-15(20-16)12-6-4-3-5-7-12/h3-9H,17H2,1-2H3
InChIKeyMKOZKSGWESNTLJ-UHFFFAOYSA-N
MW265.32 g/mol
LogP3.60
Rot. Bonds2

About 2,4-dimethyl-5-(5-phenyl-1,3,4-oxadiazol-2-yl)aniline

2,4-dimethyl-5-(5-phenyl-1,3,4-oxadiazol-2-yl)aniline (PubChem CID 102706038) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is 2,4-dimethyl-5-(5-phenyl-1,3,4-oxadiazol-2-yl)aniline.

Molecular Properties

Compound Name2,4-dimethyl-5-(5-phenyl-1,3,4-oxadiazol-2-yl)aniline
PubChem CID102706038
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name2,4-dimethyl-5-(5-phenyl-1,3,4-oxadiazol-2-yl)aniline
SMILESCc1cc(C)c(-c2nnc(-c3ccccc3)o2)cc1N
InChIInChI=1S/C16H15N3O/c1-10-8-11(2)14(17)9-13(10)16-19-18-15(20-16)12-6-4-3-5-7-12/h3-9H,17H2,1-2H3
InChIKeyMKOZKSGWESNTLJ-UHFFFAOYSA-N
XLogP3.60
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2,5-dibromo-4-methylphenyl)-5-phenyl-1,3,4-oxadiazole
CID 86008820
5-(5-methoxy-1,3,4-oxadiazol-2-yl)-2,4-dimethylaniline
CID 102706044
ethane;2-phenyl-5-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-1,3,4-oxadiazole
CID 144770943
2-phenyl-5-[3,10,11-tris(5-phenyl-1,3,4-oxadiazol-2-yl)tetraphenylen-2-yl]-1,3,4-oxadiazole
CID 59855596
bis(2,2-dimethylpropane);2,5-diphenyl-1,3,4-oxadiazole
CID 160836587
5-methyl-2-phenyl-1,3-benzoxazol-6-amine
CID 155036238
2-[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]aniline
CID 6463631
2-[2,3-bis(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-5-phenyl-1,3,4-oxadiazole
CID 102173738
2-(2-tert-butylphenyl)-5-phenyl-1,3,4-oxadiazole
CID 150681431
2,5-bis[4-(2,3,4,5,6-pentakis-phenylphenyl)phenyl]-1,3,4-oxadiazole
CID 101440187
beryllium;hydride;2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenol
CID 174487083
2-(1,5-dimethylpyrrol-2-yl)-5-phenyl-1,3,4-oxadiazole
CID 71563567

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-5-(5-phenyl-1,3,4-oxadiazol-2-yl)aniline?
The IUPAC name of 2,4-dimethyl-5-(5-phenyl-1,3,4-oxadiazol-2-yl)aniline (CID 102706038) is 2,4-dimethyl-5-(5-phenyl-1,3,4-oxadiazol-2-yl)aniline.
What is the SMILES notation for 2,4-dimethyl-5-(5-phenyl-1,3,4-oxadiazol-2-yl)aniline?
The canonical SMILES for 2,4-dimethyl-5-(5-phenyl-1,3,4-oxadiazol-2-yl)aniline is Cc1cc(C)c(-c2nnc(-c3ccccc3)o2)cc1N.
What is the InChIKey of 2,4-dimethyl-5-(5-phenyl-1,3,4-oxadiazol-2-yl)aniline?
The InChIKey is MKOZKSGWESNTLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c1-10-8-11(2)14(17)9-13(10)16-19-18-15(20-16)12-6-4-3-5-7-12/h3-9H,17H2,1-2H3.
What are the key properties of 2,4-dimethyl-5-(5-phenyl-1,3,4-oxadiazol-2-yl)aniline?
2,4-dimethyl-5-(5-phenyl-1,3,4-oxadiazol-2-yl)aniline has a molecular weight of 265.32 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-5-(5-phenyl-1,3,4-oxadiazol-2-yl)aniline is sourced from PubChem (CID 102706038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).