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

C10H10Cl2N4O — CID 114182998

IUPAC2,6-dichloro-1-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzene-1,4-diamine
SMILESCc1nc(CNc2c(Cl)cc(N)cc2Cl)no1
InChIInChI=1S/C10H10Cl2N4O/c1-5-15-9(16-17-5)4-14-10-7(11)2-6(13)3-8(10)12/h2-3,14H,4,13H2,1H3
InChIKeyYYHTUVGEYFLKGT-UHFFFAOYSA-N
MW273.12 g/mol
LogP2.88
Rot. Bonds3

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

2,6-dichloro-1-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzene-1,4-diamine (PubChem CID 114182998) has the molecular formula C10H10Cl2N4O and a molecular weight of 273.12 g/mol. Its IUPAC name is 2,6-dichloro-1-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzene-1,4-diamine.

Molecular Properties

Compound Name2,6-dichloro-1-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzene-1,4-diamine
PubChem CID114182998
Molecular FormulaC10H10Cl2N4O
Molecular Weight273.12 g/mol
Exact Mass272.02
IUPAC Name2,6-dichloro-1-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzene-1,4-diamine
SMILESCc1nc(CNc2c(Cl)cc(N)cc2Cl)no1
InChIInChI=1S/C10H10Cl2N4O/c1-5-15-9(16-17-5)4-14-10-7(11)2-6(13)3-8(10)12/h2-3,14H,4,13H2,1H3
InChIKeyYYHTUVGEYFLKGT-UHFFFAOYSA-N
XLogP2.88
TPSA76.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.12
LogP ≤ 52.88
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

2,6-dichloro-4-fluoro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]aniline
CID 113369511
ethyl 5-amino-3-chloro-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]benzoate
CID 106407271
3,5-dichloro-6-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyridine-2,6-diamine
CID 106411585
5-chloro-6-fluoro-1-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzene-1,2,4-triamine
CID 106393058
methyl 5-amino-3-chloro-2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]benzoate
CID 106422565
2,3,5,6-tetrafluoro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]aniline
CID 107912090
2-chloro-5-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]aniline
CID 103768023
4-chloro-2-methoxy-5-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]aniline
CID 103741991
3-chloro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyridin-2-amine
CID 103748375
5-chloro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-4-amine
CID 102677497
4-chloro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-(trifluoromethyl)aniline
CID 103741987
4,5-dimethoxy-2-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzene-1,2-diamine
CID 106393136

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-1-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzene-1,4-diamine?
The IUPAC name of 2,6-dichloro-1-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzene-1,4-diamine (CID 114182998) is 2,6-dichloro-1-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzene-1,4-diamine.
What is the SMILES notation for 2,6-dichloro-1-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzene-1,4-diamine?
The canonical SMILES for 2,6-dichloro-1-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzene-1,4-diamine is Cc1nc(CNc2c(Cl)cc(N)cc2Cl)no1.
What is the InChIKey of 2,6-dichloro-1-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzene-1,4-diamine?
The InChIKey is YYHTUVGEYFLKGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2N4O/c1-5-15-9(16-17-5)4-14-10-7(11)2-6(13)3-8(10)12/h2-3,14H,4,13H2,1H3.
What are the key properties of 2,6-dichloro-1-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzene-1,4-diamine?
2,6-dichloro-1-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzene-1,4-diamine has a molecular weight of 273.12 g/mol, XLogP of 2.88, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-1-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzene-1,4-diamine is sourced from PubChem (CID 114182998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).