2-methyl-4-N-(1,2,4-oxadiazol-3-ylmethyl)benzene-1,4-diamine

C10H12N4O — CID 106393331

IUPAC2-methyl-4-N-(1,2,4-oxadiazol-3-ylmethyl)benzene-1,4-diamine
SMILESCc1cc(NCc2ncon2)ccc1N
InChIInChI=1S/C10H12N4O/c1-7-4-8(2-3-9(7)11)12-5-10-13-6-15-14-10/h2-4,6,12H,5,11H2,1H3
InChIKeyHETYNPJVSGPWNS-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.57
Rot. Bonds3

About 2-methyl-4-N-(1,2,4-oxadiazol-3-ylmethyl)benzene-1,4-diamine

2-methyl-4-N-(1,2,4-oxadiazol-3-ylmethyl)benzene-1,4-diamine (PubChem CID 106393331) has the molecular formula C10H12N4O and a molecular weight of 204.23 g/mol. Its IUPAC name is 2-methyl-4-N-(1,2,4-oxadiazol-3-ylmethyl)benzene-1,4-diamine.

Molecular Properties

Compound Name2-methyl-4-N-(1,2,4-oxadiazol-3-ylmethyl)benzene-1,4-diamine
PubChem CID106393331
Molecular FormulaC10H12N4O
Molecular Weight204.23 g/mol
Exact Mass204.10
IUPAC Name2-methyl-4-N-(1,2,4-oxadiazol-3-ylmethyl)benzene-1,4-diamine
SMILESCc1cc(NCc2ncon2)ccc1N
InChIInChI=1S/C10H12N4O/c1-7-4-8(2-3-9(7)11)12-5-10-13-6-15-14-10/h2-4,6,12H,5,11H2,1H3
InChIKeyHETYNPJVSGPWNS-UHFFFAOYSA-N
XLogP1.57
TPSA76.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.57
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

4-methyl-1-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzene-1,3-diamine
CID 106394127
3-methyl-2-N-(1,2,4-oxadiazol-3-ylmethyl)benzene-1,2-diamine
CID 106393358
3-bromo-4-methyl-2-N-(1,2,4-oxadiazol-3-ylmethyl)pyridine-2,5-diamine
CID 106393535
2-methyl-4-N-[(5-methylfuran-2-yl)methyl]benzene-1,4-diamine
CID 62523846
5-amino-2-fluoro-4-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide
CID 106392187
4-fluoro-1-N-(1,2,4-oxadiazol-3-ylmethyl)benzene-1,2-diamine
CID 106393220
4-N-(1,2,4-oxadiazol-3-ylmethyl)-2-N-propylpyridine-2,4-diamine
CID 114185489
4-amino-N-methyl-3-(1,2,4-oxadiazol-3-ylmethylamino)benzenesulfonamide
CID 106393414
2-methyl-4-N-(1,3-thiazol-2-ylmethyl)benzene-1,4-diamine
CID 61283842
5-(1,2,4-oxadiazol-3-ylmethylamino)pyridine-2-carbothioamide
CID 106399667
3-methoxy-4-nitro-N-(1,2,4-oxadiazol-3-ylmethyl)aniline
CID 106403400
4-amino-N,N-dimethyl-3-(1,2,4-oxadiazol-3-ylmethylamino)benzenesulfonamide
CID 106393237

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-N-(1,2,4-oxadiazol-3-ylmethyl)benzene-1,4-diamine?
The IUPAC name of 2-methyl-4-N-(1,2,4-oxadiazol-3-ylmethyl)benzene-1,4-diamine (CID 106393331) is 2-methyl-4-N-(1,2,4-oxadiazol-3-ylmethyl)benzene-1,4-diamine.
What is the SMILES notation for 2-methyl-4-N-(1,2,4-oxadiazol-3-ylmethyl)benzene-1,4-diamine?
The canonical SMILES for 2-methyl-4-N-(1,2,4-oxadiazol-3-ylmethyl)benzene-1,4-diamine is Cc1cc(NCc2ncon2)ccc1N.
What is the InChIKey of 2-methyl-4-N-(1,2,4-oxadiazol-3-ylmethyl)benzene-1,4-diamine?
The InChIKey is HETYNPJVSGPWNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O/c1-7-4-8(2-3-9(7)11)12-5-10-13-6-15-14-10/h2-4,6,12H,5,11H2,1H3.
What are the key properties of 2-methyl-4-N-(1,2,4-oxadiazol-3-ylmethyl)benzene-1,4-diamine?
2-methyl-4-N-(1,2,4-oxadiazol-3-ylmethyl)benzene-1,4-diamine has a molecular weight of 204.23 g/mol, XLogP of 1.57, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-N-(1,2,4-oxadiazol-3-ylmethyl)benzene-1,4-diamine is sourced from PubChem (CID 106393331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).