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

C10H11N3O — CID 63692412

IUPAC5-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-3-amine
SMILESCc1ccc(Cc2nc(N)no2)cc1
InChIInChI=1S/C10H11N3O/c1-7-2-4-8(5-3-7)6-9-12-10(11)13-14-9/h2-5H,6H2,1H3,(H2,11,13)
InChIKeyWXIIOZTYRRMAMZ-UHFFFAOYSA-N
MW189.22 g/mol
LogP1.55
Rot. Bonds2

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

5-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-3-amine (PubChem CID 63692412) has the molecular formula C10H11N3O and a molecular weight of 189.22 g/mol. Its IUPAC name is 5-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-3-amine.

Molecular Properties

Compound Name5-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-3-amine
PubChem CID63692412
Molecular FormulaC10H11N3O
Molecular Weight189.22 g/mol
Exact Mass189.09
IUPAC Name5-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-3-amine
SMILESCc1ccc(Cc2nc(N)no2)cc1
InChIInChI=1S/C10H11N3O/c1-7-2-4-8(5-3-7)6-9-12-10(11)13-14-9/h2-5H,6H2,1H3,(H2,11,13)
InChIKeyWXIIOZTYRRMAMZ-UHFFFAOYSA-N
XLogP1.55
TPSA64.94 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 ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[2-(4-methylanilino)ethyl]-1,2,4-oxadiazol-3-amine
CID 65416617
1-[5-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]ethanol
CID 102660586
3-[(4-bromophenyl)methyl]-5-[(4-methylphenyl)methyl]-1,2,4-oxadiazole
CID 56648292
[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]methanamine;hydrochloride
CID 23301773
2-[3-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine
CID 62330251
5-[(4-methylphenyl)methyl]-3-pyridin-4-yl-1,2,4-oxadiazole
CID 895193
3-(4-methylphenyl)-5-[(4-phenylphenyl)methyl]-1,2,4-oxadiazole
CID 8895143
N,N-dimethyl-4-[5-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]aniline
CID 50769325
4-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]aniline;hydrochloride
CID 75480838
5-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-3-amine
CID 63692065
5-(furan-2-ylmethyl)-1,2,4-oxadiazol-3-amine
CID 115004217
1-[5-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]-2-propoxyethanamine
CID 104634360

Frequently Asked Questions

What is the IUPAC name of 5-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-3-amine?
The IUPAC name of 5-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-3-amine (CID 63692412) is 5-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-3-amine.
What is the SMILES notation for 5-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-3-amine?
The canonical SMILES for 5-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-3-amine is Cc1ccc(Cc2nc(N)no2)cc1.
What is the InChIKey of 5-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-3-amine?
The InChIKey is WXIIOZTYRRMAMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O/c1-7-2-4-8(5-3-7)6-9-12-10(11)13-14-9/h2-5H,6H2,1H3,(H2,11,13).
What are the key properties of 5-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-3-amine?
5-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-3-amine has a molecular weight of 189.22 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-3-amine is sourced from PubChem (CID 63692412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).