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

C20H22FN3O — CID 120872218

IUPACN'-[[5-(2-fluorophenyl)-1,3-oxazol-2-yl]methyl]-N'-(2-phenylethyl)ethane-1,2-diamine
SMILESNCCN(CCc1ccccc1)Cc1ncc(-c2ccccc2F)o1
InChIInChI=1S/C20H22FN3O/c21-18-9-5-4-8-17(18)19-14-23-20(25-19)15-24(13-11-22)12-10-16-6-2-1-3-7-16/h1-9,14H,10-13,15,22H2
InChIKeyFSVVKWFYXJWVRR-UHFFFAOYSA-N
MW339.41 g/mol
LogP3.48
Rot. Bonds8

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

N'-[[5-(2-fluorophenyl)-1,3-oxazol-2-yl]methyl]-N'-(2-phenylethyl)ethane-1,2-diamine (PubChem CID 120872218) has the molecular formula C20H22FN3O and a molecular weight of 339.41 g/mol. Its IUPAC name is N'-[[5-(2-fluorophenyl)-1,3-oxazol-2-yl]methyl]-N'-(2-phenylethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[[5-(2-fluorophenyl)-1,3-oxazol-2-yl]methyl]-N'-(2-phenylethyl)ethane-1,2-diamine
PubChem CID120872218
Molecular FormulaC20H22FN3O
Molecular Weight339.41 g/mol
Exact Mass339.17
IUPAC NameN'-[[5-(2-fluorophenyl)-1,3-oxazol-2-yl]methyl]-N'-(2-phenylethyl)ethane-1,2-diamine
SMILESNCCN(CCc1ccccc1)Cc1ncc(-c2ccccc2F)o1
InChIInChI=1S/C20H22FN3O/c21-18-9-5-4-8-17(18)19-14-23-20(25-19)15-24(13-11-22)12-10-16-6-2-1-3-7-16/h1-9,14H,10-13,15,22H2
InChIKeyFSVVKWFYXJWVRR-UHFFFAOYSA-N
XLogP3.48
TPSA55.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.41
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminoethyl)-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(2-phenylethyl)propanamide;dihydrochloride
CID 120886717
2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]ethanamine
CID 65178588
3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N',N'-diphenylpropanehydrazide
CID 16590817
2-[[5-(2-bromophenyl)-1,3-oxazol-2-yl]methyl-(2-hydroxyethyl)amino]ethanol
CID 111487783
N'-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-N'-(2-phenylethyl)ethane-1,2-diamine
CID 120912974
N'-(1,2-oxazol-3-ylmethyl)-N'-(2-phenylethyl)ethane-1,2-diamine
CID 120872144
3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(2-hydroxyethyl)-N-methylpropanamide
CID 110886027
N'-[(3-methylimidazol-4-yl)methyl]-N'-(2-phenylethyl)ethane-1,2-diamine
CID 120913006
N-(2-aminoethyl)-N-(2-phenylethyl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide;dihydrochloride
CID 120885211
N'-[(2,4-difluorophenyl)methyl]-N'-(2-phenylethyl)ethane-1,2-diamine;hydrochloride
CID 120871833
N'-(2-phenylethyl)-N'-[(1-propylpyrazol-4-yl)methyl]ethane-1,2-diamine;hydrochloride
CID 120912684
N'-(2-phenylethyl)-N'-(quinolin-3-ylmethyl)ethane-1,2-diamine;hydrochloride
CID 120912617

Frequently Asked Questions

What is the IUPAC name of N'-[[5-(2-fluorophenyl)-1,3-oxazol-2-yl]methyl]-N'-(2-phenylethyl)ethane-1,2-diamine?
The IUPAC name of N'-[[5-(2-fluorophenyl)-1,3-oxazol-2-yl]methyl]-N'-(2-phenylethyl)ethane-1,2-diamine (CID 120872218) is N'-[[5-(2-fluorophenyl)-1,3-oxazol-2-yl]methyl]-N'-(2-phenylethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-[[5-(2-fluorophenyl)-1,3-oxazol-2-yl]methyl]-N'-(2-phenylethyl)ethane-1,2-diamine?
The canonical SMILES for N'-[[5-(2-fluorophenyl)-1,3-oxazol-2-yl]methyl]-N'-(2-phenylethyl)ethane-1,2-diamine is NCCN(CCc1ccccc1)Cc1ncc(-c2ccccc2F)o1.
What is the InChIKey of N'-[[5-(2-fluorophenyl)-1,3-oxazol-2-yl]methyl]-N'-(2-phenylethyl)ethane-1,2-diamine?
The InChIKey is FSVVKWFYXJWVRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O/c21-18-9-5-4-8-17(18)19-14-23-20(25-19)15-24(13-11-22)12-10-16-6-2-1-3-7-16/h1-9,14H,10-13,15,22H2.
What are the key properties of N'-[[5-(2-fluorophenyl)-1,3-oxazol-2-yl]methyl]-N'-(2-phenylethyl)ethane-1,2-diamine?
N'-[[5-(2-fluorophenyl)-1,3-oxazol-2-yl]methyl]-N'-(2-phenylethyl)ethane-1,2-diamine has a molecular weight of 339.41 g/mol, XLogP of 3.48, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[5-(2-fluorophenyl)-1,3-oxazol-2-yl]methyl]-N'-(2-phenylethyl)ethane-1,2-diamine is sourced from PubChem (CID 120872218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).