2-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]aniline

C18H19N3O — CID 2799937

IUPAC2-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]aniline
SMILESCC(C)(C)c1ccc(-c2nnc(-c3ccccc3N)o2)cc1
InChIInChI=1S/C18H19N3O/c1-18(2,3)13-10-8-12(9-11-13)16-20-21-17(22-16)14-6-4-5-7-15(14)19/h4-11H,19H2,1-3H3
InChIKeyORSLEBNPFFMHND-UHFFFAOYSA-N
MW293.37 g/mol
LogP4.28
Rot. Bonds2

About 2-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]aniline

2-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]aniline (PubChem CID 2799937) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]aniline.

Molecular Properties

Compound Name2-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]aniline
PubChem CID2799937
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC Name2-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]aniline
SMILESCC(C)(C)c1ccc(-c2nnc(-c3ccccc3N)o2)cc1
InChIInChI=1S/C18H19N3O/c1-18(2,3)13-10-8-12(9-11-13)16-20-21-17(22-16)14-6-4-5-7-15(14)19/h4-11H,19H2,1-3H3
InChIKeyORSLEBNPFFMHND-UHFFFAOYSA-N
XLogP4.28
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 54.28
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-Nitrophenyl)-5-phenyl-1,3,4-oxadiazole
CID 5150389
4-[5-(4-Phenylphenyl)-1,3,4-oxadiazol-2-yl]aniline
CID 628602
2,5-Bis(2-aminophenyl)-1,3,4-oxadiazole
CID 29650
2-[5-(4-Phenylphenyl)-1,3,4-oxadiazol-2-yl]aniline
CID 2306153
N-(2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl) benzamide
CID 71458829
2-[5-(4-Chlorophenyl)-1,3,4-oxadiazol-2-yl]aniline
CID 4204120
2-(5-Methyl-1,3,4-oxadiazol-2-yl)aniline
CID 13409712
N-{2-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl}-3-(trifluoromethyl)benzamide
CID 5297758
N-[2-[5-[(4-tert-butylphenyl)methylthio]-1,3,4-oxadiazol-2-yl]phenyl]benzamide
CID 3137384
4-Fluoro-3-[5-(4-methylbenzyl)-1,3,4-oxadiazol-2-yl]aniline
CID 47001465
2-(5-Benzylsulfanyl-1,3,4-oxadiazol-2-yl)aniline
CID 56970372
N-[2-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-4-methylbenzenesulfonamide
CID 2799976

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]aniline?
The IUPAC name of 2-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]aniline (CID 2799937) is 2-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]aniline.
What is the SMILES notation for 2-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]aniline?
The canonical SMILES for 2-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]aniline is CC(C)(C)c1ccc(-c2nnc(-c3ccccc3N)o2)cc1.
What is the InChIKey of 2-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]aniline?
The InChIKey is ORSLEBNPFFMHND-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c1-18(2,3)13-10-8-12(9-11-13)16-20-21-17(22-16)14-6-4-5-7-15(14)19/h4-11H,19H2,1-3H3.
What are the key properties of 2-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]aniline?
2-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]aniline has a molecular weight of 293.37 g/mol, XLogP of 4.28, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]aniline is sourced from PubChem (CID 2799937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).