2,6-dichloro-1-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,4-diamine

C10H9Cl2N3O — CID 15294526

IUPAC2,6-dichloro-1-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,4-diamine
SMILESCc1cc(Nc2c(Cl)cc(N)cc2Cl)no1
InChIInChI=1S/C10H9Cl2N3O/c1-5-2-9(15-16-5)14-10-7(11)3-6(13)4-8(10)12/h2-4H,13H2,1H3,(H,14,15)
InChIKeyXPFNUDZGXBCDPJ-UHFFFAOYSA-N
MW258.11 g/mol
LogP3.62
Rot. Bonds2

About 2,6-dichloro-1-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,4-diamine

2,6-dichloro-1-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,4-diamine (PubChem CID 15294526) has the molecular formula C10H9Cl2N3O and a molecular weight of 258.11 g/mol. Its IUPAC name is 2,6-dichloro-1-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,4-diamine.

Molecular Properties

Compound Name2,6-dichloro-1-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,4-diamine
PubChem CID15294526
Molecular FormulaC10H9Cl2N3O
Molecular Weight258.11 g/mol
Exact Mass257.01
IUPAC Name2,6-dichloro-1-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,4-diamine
SMILESCc1cc(Nc2c(Cl)cc(N)cc2Cl)no1
InChIInChI=1S/C10H9Cl2N3O/c1-5-2-9(15-16-5)14-10-7(11)3-6(13)4-8(10)12/h2-4H,13H2,1H3,(H,14,15)
InChIKeyXPFNUDZGXBCDPJ-UHFFFAOYSA-N
XLogP3.62
TPSA64.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.11
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-N-(2-chloro-4,6-dimethylphenyl)-2-methyl-6-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,6-diamine
CID 112878188
4-N-(2,6-dichlorophenyl)-6-methyl-2-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-2,4-diamine
CID 112932237
5-N-(2-chloro-4,6-dimethylphenyl)-3-N-(5-methyl-1,2-oxazol-3-yl)-1,2,4-triazine-3,5-diamine
CID 112966752
6-N-(3,5-dimethylphenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,5,6-triamine
CID 22540408
2,6-dichloro-1-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzene-1,4-diamine
CID 114182998
6-methyl-2-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2,3-diamine
CID 82059672
5-methyl-N-(4-methylphenyl)-1,2-oxazol-3-amine
CID 122548872
4-N-(5-methyl-1,2-oxazol-3-yl)-6-N-(4-propan-2-ylphenyl)pyrimidine-4,5,6-triamine
CID 22540440
N-(5-methyl-1,2-oxazol-3-yl)hydroxylamine
CID 172819404
6-chloro-2-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridine-2,4-diamine
CID 104924020
6-[(5-methyl-1,2-oxazol-3-yl)amino]-1H-pyrimidine-2-thione
CID 175883090
6-N-(4-fluorophenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,5,6-triamine
CID 22540535

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-1-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,4-diamine?
The IUPAC name of 2,6-dichloro-1-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,4-diamine (CID 15294526) is 2,6-dichloro-1-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,4-diamine.
What is the SMILES notation for 2,6-dichloro-1-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,4-diamine?
The canonical SMILES for 2,6-dichloro-1-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,4-diamine is Cc1cc(Nc2c(Cl)cc(N)cc2Cl)no1.
What is the InChIKey of 2,6-dichloro-1-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,4-diamine?
The InChIKey is XPFNUDZGXBCDPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2N3O/c1-5-2-9(15-16-5)14-10-7(11)3-6(13)4-8(10)12/h2-4H,13H2,1H3,(H,14,15).
What are the key properties of 2,6-dichloro-1-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,4-diamine?
2,6-dichloro-1-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,4-diamine has a molecular weight of 258.11 g/mol, XLogP of 3.62, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-1-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,4-diamine is sourced from PubChem (CID 15294526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).