N'-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methyl]-N'-methylethane-1,2-diamine

C13H16ClN3O — CID 62687553

IUPACN'-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methyl]-N'-methylethane-1,2-diamine
SMILESCN(CCN)Cc1coc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C13H16ClN3O/c1-17(7-6-15)8-12-9-18-13(16-12)10-2-4-11(14)5-3-10/h2-5,9H,6-8,15H2,1H3
InChIKeyVXTZJMOUUYBJCX-UHFFFAOYSA-N
MW265.74 g/mol
LogP2.39
Rot. Bonds5

About N'-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methyl]-N'-methylethane-1,2-diamine

N'-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methyl]-N'-methylethane-1,2-diamine (PubChem CID 62687553) has the molecular formula C13H16ClN3O and a molecular weight of 265.74 g/mol. Its IUPAC name is N'-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methyl]-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methyl]-N'-methylethane-1,2-diamine
PubChem CID62687553
Molecular FormulaC13H16ClN3O
Molecular Weight265.74 g/mol
Exact Mass265.10
IUPAC NameN'-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methyl]-N'-methylethane-1,2-diamine
SMILESCN(CCN)Cc1coc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C13H16ClN3O/c1-17(7-6-15)8-12-9-18-13(16-12)10-2-4-11(14)5-3-10/h2-5,9H,6-8,15H2,1H3
InChIKeyVXTZJMOUUYBJCX-UHFFFAOYSA-N
XLogP2.39
TPSA55.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.74
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-methyl-N'-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]ethane-1,2-diamine
CID 62686633
N-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-N-methylbutan-1-amine
CID 56664992
1-[2-(4-ethoxyphenyl)-1,3-oxazol-4-yl]-N-[[2-(4-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]-N-methylmethanamine
CID 56668338
N-methyl-N-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]prop-2-yn-1-amine
CID 56671957
2-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methyl-cyclobutylamino]ethanol
CID 102676563
N-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methyl]-N-ethylazetidin-3-amine
CID 66181515
2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]-N-(1-hydroxypropan-2-yl)-N-methylacetamide
CID 109388558
N-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-2-amine
CID 60682858
2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]acetonitrile;2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]ethanamine
CID 159604704
2-[2-(4-methylphenyl)-1,3-oxazol-4-yl]ethanamine
CID 25324136
1-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-2-methylpropan-2-amine
CID 66229491
N'-(2-phenylethyl)-N'-[(2-phenyl-1,3-oxazol-4-yl)methyl]ethane-1,2-diamine;hydrochloride
CID 120872561

Frequently Asked Questions

What is the IUPAC name of N'-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methyl]-N'-methylethane-1,2-diamine?
The IUPAC name of N'-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methyl]-N'-methylethane-1,2-diamine (CID 62687553) is N'-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methyl]-N'-methylethane-1,2-diamine.
What is the SMILES notation for N'-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methyl]-N'-methylethane-1,2-diamine?
The canonical SMILES for N'-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methyl]-N'-methylethane-1,2-diamine is CN(CCN)Cc1coc(-c2ccc(Cl)cc2)n1.
What is the InChIKey of N'-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methyl]-N'-methylethane-1,2-diamine?
The InChIKey is VXTZJMOUUYBJCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O/c1-17(7-6-15)8-12-9-18-13(16-12)10-2-4-11(14)5-3-10/h2-5,9H,6-8,15H2,1H3.
What are the key properties of N'-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methyl]-N'-methylethane-1,2-diamine?
N'-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methyl]-N'-methylethane-1,2-diamine has a molecular weight of 265.74 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methyl]-N'-methylethane-1,2-diamine is sourced from PubChem (CID 62687553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).