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

C10H11N3O — CID 82468711

IUPACN-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)aniline
SMILESCNc1ccc(-c2nc(C)no2)cc1
InChIInChI=1S/C10H11N3O/c1-7-12-10(14-13-7)8-3-5-9(11-2)6-4-8/h3-6,11H,1-2H3
InChIKeyBGLIYDIKFNVQPI-UHFFFAOYSA-N
MW189.22 g/mol
LogP2.09
Rot. Bonds2

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

N-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)aniline (PubChem CID 82468711) has the molecular formula C10H11N3O and a molecular weight of 189.22 g/mol. Its IUPAC name is N-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)aniline.

Molecular Properties

Compound NameN-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)aniline
PubChem CID82468711
Molecular FormulaC10H11N3O
Molecular Weight189.22 g/mol
Exact Mass189.09
IUPAC NameN-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)aniline
SMILESCNc1ccc(-c2nc(C)no2)cc1
InChIInChI=1S/C10H11N3O/c1-7-12-10(14-13-7)8-3-5-9(11-2)6-4-8/h3-6,11H,1-2H3
InChIKeyBGLIYDIKFNVQPI-UHFFFAOYSA-N
XLogP2.09
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 104698800
4-(3-methyl-1,2,4-oxadiazol-5-yl)phenol
CID 3692407
3-methyl-5-(4-phenylphenyl)-1,2,4-oxadiazole
CID 91136063
4-[3-(4-iodophenyl)-1,2,4-oxadiazol-5-yl]-N-methylaniline
CID 44560734
N-methyl-4-[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]aniline
CID 113442813
3-methyl-5-pyridin-4-yl-1,2,4-oxadiazole
CID 21025706
N-methyl-5-[4-(methylamino)phenyl]-1,2,4-oxadiazole-3-carboxamide
CID 102790656
N-[4-(methylcarbamoylamino)phenyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
CID 134050975
N-methyl-4-[3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]aniline
CID 104698932
N-methyl-4-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]aniline
CID 116632658
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

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)aniline?
The IUPAC name of N-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)aniline (CID 82468711) is N-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)aniline.
What is the SMILES notation for N-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)aniline?
The canonical SMILES for N-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)aniline is CNc1ccc(-c2nc(C)no2)cc1.
What is the InChIKey of N-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)aniline?
The InChIKey is BGLIYDIKFNVQPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O/c1-7-12-10(14-13-7)8-3-5-9(11-2)6-4-8/h3-6,11H,1-2H3.
What are the key properties of N-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)aniline?
N-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)aniline has a molecular weight of 189.22 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)aniline is sourced from PubChem (CID 82468711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).