N-methyl-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]aniline

C16H15N3O — CID 104698800

IUPACN-methyl-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]aniline
SMILESCNc1ccc(-c2nc(-c3ccc(C)cc3)no2)cc1
InChIInChI=1S/C16H15N3O/c1-11-3-5-12(6-4-11)15-18-16(20-19-15)13-7-9-14(17-2)10-8-13/h3-10,17H,1-2H3
InChIKeyTUMKKAGPSABQEA-UHFFFAOYSA-N
MW265.32 g/mol
LogP3.75
Rot. Bonds3

About N-methyl-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]aniline

N-methyl-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]aniline (PubChem CID 104698800) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is N-methyl-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]aniline.

Molecular Properties

Compound NameN-methyl-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]aniline
PubChem CID104698800
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC NameN-methyl-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]aniline
SMILESCNc1ccc(-c2nc(-c3ccc(C)cc3)no2)cc1
InChIInChI=1S/C16H15N3O/c1-11-3-5-12(6-4-11)15-18-16(20-19-15)13-7-9-14(17-2)10-8-13/h3-10,17H,1-2H3
InChIKeyTUMKKAGPSABQEA-UHFFFAOYSA-N
XLogP3.75
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-(4-iodophenyl)-1,2,4-oxadiazol-5-yl]-N-methylaniline
CID 44560734
N-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)aniline
CID 82468711
3-(4-bromophenyl)-5-(4-methylphenyl)-1,2,4-oxadiazole
CID 752268
[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]thiourea
CID 169356713
N-methyl-4-[3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]aniline
CID 104698932
2,2-dimethyl-N-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]propanamide
CID 50747877
N-methyl-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)aniline
CID 104698799
N-methyl-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)aniline
CID 104698802
2-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]anilino]ethene-1,1,2-tricarbonitrile
CID 168607088
[4-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]methanol
CID 59204295
3-(4-methylphenyl)-5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 19614165
3-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]anilino]propane-1,2-diol
CID 168597643

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]aniline?
The IUPAC name of N-methyl-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]aniline (CID 104698800) is N-methyl-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]aniline.
What is the SMILES notation for N-methyl-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]aniline?
The canonical SMILES for N-methyl-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]aniline is CNc1ccc(-c2nc(-c3ccc(C)cc3)no2)cc1.
What is the InChIKey of N-methyl-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]aniline?
The InChIKey is TUMKKAGPSABQEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c1-11-3-5-12(6-4-11)15-18-16(20-19-15)13-7-9-14(17-2)10-8-13/h3-10,17H,1-2H3.
What are the key properties of N-methyl-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]aniline?
N-methyl-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]aniline has a molecular weight of 265.32 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]aniline is sourced from PubChem (CID 104698800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).