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N'-(2-phenylethyl)-N'-[(2-phenyl-1,3-oxazol-4-yl)methyl]ethane-1,2-diamine;hydrochloride

C20H24ClN3O — CID 120872561

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN'-(2-phenylethyl)-N'-[(2-phenyl-1,3-oxazol-4-yl)methyl]ethane-1,2-diamine;hydrochloride
SMILESCl.NCCN(CCc1ccccc1)Cc1coc(-c2ccccc2)n1
InChIInChI=1S/C20H23N3O.ClH/c21-12-14-23(13-11-17-7-3-1-4-8-17)15-19-16-24-20(22-19)18-9-5-2-6-10-18;/h1-10,16H,11-15,21H2;1H
InChIKeyDJRGGIKMZCQIQP-UHFFFAOYSA-N
MW357.89 g/mol
LogP3.77
Rot. Bonds8

About N'-(2-phenylethyl)-N'-[(2-phenyl-1,3-oxazol-4-yl)methyl]ethane-1,2-diamine;hydrochloride

N'-(2-phenylethyl)-N'-[(2-phenyl-1,3-oxazol-4-yl)methyl]ethane-1,2-diamine;hydrochloride (PubChem CID 120872561) has the molecular formula C20H24ClN3O and a molecular weight of 357.89 g/mol. Its IUPAC name is N'-(2-phenylethyl)-N'-[(2-phenyl-1,3-oxazol-4-yl)methyl]ethane-1,2-diamine;hydrochloride.

Molecular Properties

Compound NameN'-(2-phenylethyl)-N'-[(2-phenyl-1,3-oxazol-4-yl)methyl]ethane-1,2-diamine;hydrochloride
PubChem CID120872561
Molecular FormulaC20H24ClN3O
Molecular Weight357.89 g/mol
Exact Mass357.16
IUPAC NameN'-(2-phenylethyl)-N'-[(2-phenyl-1,3-oxazol-4-yl)methyl]ethane-1,2-diamine;hydrochloride
SMILESCl.NCCN(CCc1ccccc1)Cc1coc(-c2ccccc2)n1
InChIInChI=1S/C20H23N3O.ClH/c21-12-14-23(13-11-17-7-3-1-4-8-17)15-19-16-24-20(22-19)18-9-5-2-6-10-18;/h1-10,16H,11-15,21H2;1H
InChIKeyDJRGGIKMZCQIQP-UHFFFAOYSA-N
XLogP3.77
TPSA55.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.89
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N'-(2-phenylethyl)-N'-[(2-phenyl-1,3-oxazol-4-yl)methyl]ethane-1,2-diamine;hydrochloride?
The IUPAC name of N'-(2-phenylethyl)-N'-[(2-phenyl-1,3-oxazol-4-yl)methyl]ethane-1,2-diamine;hydrochloride (CID 120872561) is N'-(2-phenylethyl)-N'-[(2-phenyl-1,3-oxazol-4-yl)methyl]ethane-1,2-diamine;hydrochloride.
What is the SMILES notation for N'-(2-phenylethyl)-N'-[(2-phenyl-1,3-oxazol-4-yl)methyl]ethane-1,2-diamine;hydrochloride?
The canonical SMILES for N'-(2-phenylethyl)-N'-[(2-phenyl-1,3-oxazol-4-yl)methyl]ethane-1,2-diamine;hydrochloride is Cl.NCCN(CCc1ccccc1)Cc1coc(-c2ccccc2)n1.
What is the InChIKey of N'-(2-phenylethyl)-N'-[(2-phenyl-1,3-oxazol-4-yl)methyl]ethane-1,2-diamine;hydrochloride?
The InChIKey is DJRGGIKMZCQIQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O.ClH/c21-12-14-23(13-11-17-7-3-1-4-8-17)15-19-16-24-20(22-19)18-9-5-2-6-10-18;/h1-10,16H,11-15,21H2;1H.
What are the key properties of N'-(2-phenylethyl)-N'-[(2-phenyl-1,3-oxazol-4-yl)methyl]ethane-1,2-diamine;hydrochloride?
N'-(2-phenylethyl)-N'-[(2-phenyl-1,3-oxazol-4-yl)methyl]ethane-1,2-diamine;hydrochloride has a molecular weight of 357.89 g/mol, XLogP of 3.77, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-phenylethyl)-N'-[(2-phenyl-1,3-oxazol-4-yl)methyl]ethane-1,2-diamine;hydrochloride is sourced from PubChem (CID 120872561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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