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

C9H10N4O — CID 65418129

IUPAC5-(4-amino-2-methylphenyl)-1,2,4-oxadiazol-3-amine
SMILESCc1cc(N)ccc1-c1nc(N)no1
InChIInChI=1S/C9H10N4O/c1-5-4-6(10)2-3-7(5)8-12-9(11)13-14-8/h2-4H,10H2,1H3,(H2,11,13)
InChIKeySSLYRJLLDUTZTG-UHFFFAOYSA-N
MW190.21 g/mol
LogP1.21
Rot. Bonds1

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

5-(4-amino-2-methylphenyl)-1,2,4-oxadiazol-3-amine (PubChem CID 65418129) has the molecular formula C9H10N4O and a molecular weight of 190.21 g/mol. Its IUPAC name is 5-(4-amino-2-methylphenyl)-1,2,4-oxadiazol-3-amine.

Molecular Properties

Compound Name5-(4-amino-2-methylphenyl)-1,2,4-oxadiazol-3-amine
PubChem CID65418129
Molecular FormulaC9H10N4O
Molecular Weight190.21 g/mol
Exact Mass190.09
IUPAC Name5-(4-amino-2-methylphenyl)-1,2,4-oxadiazol-3-amine
SMILESCc1cc(N)ccc1-c1nc(N)no1
InChIInChI=1S/C9H10N4O/c1-5-4-6(10)2-3-7(5)8-12-9(11)13-14-8/h2-4H,10H2,1H3,(H2,11,13)
InChIKeySSLYRJLLDUTZTG-UHFFFAOYSA-N
XLogP1.21
TPSA90.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.21
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-methyl-4-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]aniline
CID 63841342
3-methyl-4-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 65196138
3-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-4-methylaniline
CID 81261221
3-fluoro-4-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 107795545
5-(4-methylthiophen-3-yl)-1,2,4-oxadiazol-3-amine
CID 79808865
4-[3-(3-ethyl-1,4-dithian-2-yl)-1,2,4-oxadiazol-5-yl]-3-methylaniline
CID 115385301
5-(5-methyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-amine
CID 63692248
5-(3,4-dimethylphenyl)-1,2,4-oxadiazol-3-amine;hydrochloride
CID 76848383
4-[3-(4-bromo-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-3-fluoroaniline
CID 107795645
4-[3-(4-bromo-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-3-chloroaniline
CID 103083253
5-(3-aminophenyl)-1,2,4-oxadiazol-3-amine
CID 65417275
5-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-amine
CID 63691181

Frequently Asked Questions

What is the IUPAC name of 5-(4-amino-2-methylphenyl)-1,2,4-oxadiazol-3-amine?
The IUPAC name of 5-(4-amino-2-methylphenyl)-1,2,4-oxadiazol-3-amine (CID 65418129) is 5-(4-amino-2-methylphenyl)-1,2,4-oxadiazol-3-amine.
What is the SMILES notation for 5-(4-amino-2-methylphenyl)-1,2,4-oxadiazol-3-amine?
The canonical SMILES for 5-(4-amino-2-methylphenyl)-1,2,4-oxadiazol-3-amine is Cc1cc(N)ccc1-c1nc(N)no1.
What is the InChIKey of 5-(4-amino-2-methylphenyl)-1,2,4-oxadiazol-3-amine?
The InChIKey is SSLYRJLLDUTZTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O/c1-5-4-6(10)2-3-7(5)8-12-9(11)13-14-8/h2-4H,10H2,1H3,(H2,11,13).
What are the key properties of 5-(4-amino-2-methylphenyl)-1,2,4-oxadiazol-3-amine?
5-(4-amino-2-methylphenyl)-1,2,4-oxadiazol-3-amine has a molecular weight of 190.21 g/mol, XLogP of 1.21, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-amino-2-methylphenyl)-1,2,4-oxadiazol-3-amine is sourced from PubChem (CID 65418129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).