N'-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]-N'-(2-phenylethyl)ethane-1,2-diamine;hydrochloride

C20H23ClFN3O — CID 120871998

IUPACN'-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]-N'-(2-phenylethyl)ethane-1,2-diamine;hydrochloride
SMILESCl.NCCN(CCc1ccccc1)Cc1cc(-c2ccc(F)cc2)no1
InChIInChI=1S/C20H22FN3O.ClH/c21-18-8-6-17(7-9-18)20-14-19(25-23-20)15-24(13-11-22)12-10-16-4-2-1-3-5-16;/h1-9,14H,10-13,15,22H2;1H
InChIKeyWQGUNAUKDDFMHE-UHFFFAOYSA-N
MW375.88 g/mol
LogP3.91
Rot. Bonds8

About N'-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]-N'-(2-phenylethyl)ethane-1,2-diamine;hydrochloride

N'-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]-N'-(2-phenylethyl)ethane-1,2-diamine;hydrochloride (PubChem CID 120871998) has the molecular formula C20H23ClFN3O and a molecular weight of 375.88 g/mol. Its IUPAC name is N'-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]-N'-(2-phenylethyl)ethane-1,2-diamine;hydrochloride.

Molecular Properties

Compound NameN'-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]-N'-(2-phenylethyl)ethane-1,2-diamine;hydrochloride
PubChem CID120871998
Molecular FormulaC20H23ClFN3O
Molecular Weight375.88 g/mol
Exact Mass375.15
IUPAC NameN'-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]-N'-(2-phenylethyl)ethane-1,2-diamine;hydrochloride
SMILESCl.NCCN(CCc1ccccc1)Cc1cc(-c2ccc(F)cc2)no1
InChIInChI=1S/C20H22FN3O.ClH/c21-18-8-6-17(7-9-18)20-14-19(25-23-20)15-24(13-11-22)12-10-16-4-2-1-3-5-16;/h1-9,14H,10-13,15,22H2;1H
InChIKeyWQGUNAUKDDFMHE-UHFFFAOYSA-N
XLogP3.91
TPSA55.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.88
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N'-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]-N'-(2-phenylethyl)ethane-1,2-diamine;hydrochloride with MolForge

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Related Compounds

N'-(2-phenylethyl)-N'-[(3-phenyl-1,2-oxazol-5-yl)methyl]ethane-1,2-diamine
CID 120871706
N'-[(2,4-difluorophenyl)methyl]-N'-(2-phenylethyl)ethane-1,2-diamine;hydrochloride
CID 120871833
N'-methyl-N'-[(3-phenyl-1,2-oxazol-5-yl)methyl]ethane-1,2-diamine
CID 62686446
2-[2-hydroxyethyl-[(3-phenyl-1,2-oxazol-5-yl)methyl]amino]ethanol
CID 62021320
N'-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-N'-(2-phenylethyl)ethane-1,2-diamine
CID 120912828
N'-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N'-(2-phenylethyl)ethane-1,2-diamine;hydrochloride
CID 120872425
N'-benzyl-N'-[(3-methyl-1,2-oxazol-5-yl)methyl]ethane-1,2-diamine
CID 106511670
N'-(2-phenylethyl)-N'-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]ethane-1,2-diamine;hydrochloride
CID 120912991
N'-(1,2-oxazol-3-ylmethyl)-N'-(2-phenylethyl)ethane-1,2-diamine
CID 120872144
N'-[(6-fluoroquinolin-8-yl)methyl]-N'-(2-phenylethyl)ethane-1,2-diamine;hydrochloride
CID 120912960
[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methanol
CID 22064141
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'-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]-N'-(2-phenylethyl)ethane-1,2-diamine;hydrochloride?
The IUPAC name of N'-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]-N'-(2-phenylethyl)ethane-1,2-diamine;hydrochloride (CID 120871998) is N'-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]-N'-(2-phenylethyl)ethane-1,2-diamine;hydrochloride.
What is the SMILES notation for N'-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]-N'-(2-phenylethyl)ethane-1,2-diamine;hydrochloride?
The canonical SMILES for N'-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]-N'-(2-phenylethyl)ethane-1,2-diamine;hydrochloride is Cl.NCCN(CCc1ccccc1)Cc1cc(-c2ccc(F)cc2)no1.
What is the InChIKey of N'-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]-N'-(2-phenylethyl)ethane-1,2-diamine;hydrochloride?
The InChIKey is WQGUNAUKDDFMHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O.ClH/c21-18-8-6-17(7-9-18)20-14-19(25-23-20)15-24(13-11-22)12-10-16-4-2-1-3-5-16;/h1-9,14H,10-13,15,22H2;1H.
What are the key properties of N'-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]-N'-(2-phenylethyl)ethane-1,2-diamine;hydrochloride?
N'-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]-N'-(2-phenylethyl)ethane-1,2-diamine;hydrochloride has a molecular weight of 375.88 g/mol, XLogP of 3.91, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]-N'-(2-phenylethyl)ethane-1,2-diamine;hydrochloride is sourced from PubChem (CID 120871998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).