N-methyl-5-(3-methylphenyl)-1,2,4-oxadiazol-3-amine

C10H11N3O — CID 56924173

IUPACN-methyl-5-(3-methylphenyl)-1,2,4-oxadiazol-3-amine
SMILESCNc1noc(-c2cccc(C)c2)n1
InChIInChI=1S/C10H11N3O/c1-7-4-3-5-8(6-7)9-12-10(11-2)13-14-9/h3-6H,1-2H3,(H,11,13)
InChIKeyVQZHCXIVVXFNMZ-UHFFFAOYSA-N
MW189.22 g/mol
LogP2.09
Rot. Bonds2

About N-methyl-5-(3-methylphenyl)-1,2,4-oxadiazol-3-amine

N-methyl-5-(3-methylphenyl)-1,2,4-oxadiazol-3-amine (PubChem CID 56924173) has the molecular formula C10H11N3O and a molecular weight of 189.22 g/mol. Its IUPAC name is N-methyl-5-(3-methylphenyl)-1,2,4-oxadiazol-3-amine.

Molecular Properties

Compound NameN-methyl-5-(3-methylphenyl)-1,2,4-oxadiazol-3-amine
PubChem CID56924173
Molecular FormulaC10H11N3O
Molecular Weight189.22 g/mol
Exact Mass189.09
IUPAC NameN-methyl-5-(3-methylphenyl)-1,2,4-oxadiazol-3-amine
SMILESCNc1noc(-c2cccc(C)c2)n1
InChIInChI=1S/C10H11N3O/c1-7-4-3-5-8(6-7)9-12-10(11-2)13-14-9/h3-6H,1-2H3,(H,11,13)
InChIKeyVQZHCXIVVXFNMZ-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-3-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 115079264
3-(3-methylphenyl)-5-phenyl-1,2,4-oxadiazole
CID 2239223
1-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 10375609
3-(3-methylphenyl)-5-pyridin-4-yl-1,2,4-oxadiazole
CID 2237693
2-methyl-1-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 61325235
3-[(4-methoxyphenyl)methyl]-5-(3-methylphenyl)-1,2,4-oxadiazole
CID 4691489
3-methyl-N-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]butan-2-amine
CID 42691823
2-ethoxy-1-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 113435421
N-[2-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]aniline
CID 1133730
3-methyl-5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,2,4-oxadiazole
CID 75527889
3-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]pentan-3-amine
CID 61326505
2-methyl-5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 63850250

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-(3-methylphenyl)-1,2,4-oxadiazol-3-amine?
The IUPAC name of N-methyl-5-(3-methylphenyl)-1,2,4-oxadiazol-3-amine (CID 56924173) is N-methyl-5-(3-methylphenyl)-1,2,4-oxadiazol-3-amine.
What is the SMILES notation for N-methyl-5-(3-methylphenyl)-1,2,4-oxadiazol-3-amine?
The canonical SMILES for N-methyl-5-(3-methylphenyl)-1,2,4-oxadiazol-3-amine is CNc1noc(-c2cccc(C)c2)n1.
What is the InChIKey of N-methyl-5-(3-methylphenyl)-1,2,4-oxadiazol-3-amine?
The InChIKey is VQZHCXIVVXFNMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O/c1-7-4-3-5-8(6-7)9-12-10(11-2)13-14-9/h3-6H,1-2H3,(H,11,13).
What are the key properties of N-methyl-5-(3-methylphenyl)-1,2,4-oxadiazol-3-amine?
N-methyl-5-(3-methylphenyl)-1,2,4-oxadiazol-3-amine 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-5-(3-methylphenyl)-1,2,4-oxadiazol-3-amine is sourced from PubChem (CID 56924173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).