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

C15H13N3O — CID 63654204

IUPAC4-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)aniline
SMILESCc1ccc(N)cc1-c1nc(-c2ccccc2)no1
InChIInChI=1S/C15H13N3O/c1-10-7-8-12(16)9-13(10)15-17-14(18-19-15)11-5-3-2-4-6-11/h2-9H,16H2,1H3
InChIKeyDSNAMDAITTZKLA-UHFFFAOYSA-N
MW251.29 g/mol
LogP3.29
Rot. Bonds2

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

4-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)aniline (PubChem CID 63654204) has the molecular formula C15H13N3O and a molecular weight of 251.29 g/mol. Its IUPAC name is 4-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)aniline.

Molecular Properties

Compound Name4-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)aniline
PubChem CID63654204
Molecular FormulaC15H13N3O
Molecular Weight251.29 g/mol
Exact Mass251.11
IUPAC Name4-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)aniline
SMILESCc1ccc(N)cc1-c1nc(-c2ccccc2)no1
InChIInChI=1S/C15H13N3O/c1-10-7-8-12(16)9-13(10)15-17-14(18-19-15)11-5-3-2-4-6-11/h2-9H,16H2,1H3
InChIKeyDSNAMDAITTZKLA-UHFFFAOYSA-N
XLogP3.29
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 53.29
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

3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-4-methylaniline
CID 63652636
4-methyl-3-[3-(4-methylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 106847320
4-methyl-3-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]aniline
CID 63654035
3-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-4-methylaniline
CID 81261221
4-methyl-3-[3-(phenylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]aniline
CID 65144041
4-methyl-3-[3-[4-(morpholin-4-ylmethyl)phenyl]-1,2,4-oxadiazol-5-yl]aniline;hydrochloride
CID 120840629
4-methyl-3-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]aniline
CID 63654384
4-[5-(3,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]aniline
CID 43525136
3-[3-(2,5-dimethylphenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 97057805
5-(2-methylphenyl)-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 867102
4-[5-(2-fluoro-3-methylphenyl)-1,2,4-oxadiazol-3-yl]aniline
CID 80717873
4-fluoro-3-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 62388062

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)aniline?
The IUPAC name of 4-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)aniline (CID 63654204) is 4-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)aniline.
What is the SMILES notation for 4-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)aniline?
The canonical SMILES for 4-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)aniline is Cc1ccc(N)cc1-c1nc(-c2ccccc2)no1.
What is the InChIKey of 4-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)aniline?
The InChIKey is DSNAMDAITTZKLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O/c1-10-7-8-12(16)9-13(10)15-17-14(18-19-15)11-5-3-2-4-6-11/h2-9H,16H2,1H3.
What are the key properties of 4-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)aniline?
4-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)aniline has a molecular weight of 251.29 g/mol, XLogP of 3.29, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)aniline is sourced from PubChem (CID 63654204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).