N'-(1,2-oxazol-3-ylmethyl)-N'-(2-phenylethyl)ethane-1,2-diamine

C14H19N3O — CID 120872144

IUPACN'-(1,2-oxazol-3-ylmethyl)-N'-(2-phenylethyl)ethane-1,2-diamine
SMILESNCCN(CCc1ccccc1)Cc1ccon1
InChIInChI=1S/C14H19N3O/c15-8-10-17(12-14-7-11-18-16-14)9-6-13-4-2-1-3-5-13/h1-5,7,11H,6,8-10,12,15H2
InChIKeyCRFGVJMLTPHKCT-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.68
Rot. Bonds7

About N'-(1,2-oxazol-3-ylmethyl)-N'-(2-phenylethyl)ethane-1,2-diamine

N'-(1,2-oxazol-3-ylmethyl)-N'-(2-phenylethyl)ethane-1,2-diamine (PubChem CID 120872144) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is N'-(1,2-oxazol-3-ylmethyl)-N'-(2-phenylethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(1,2-oxazol-3-ylmethyl)-N'-(2-phenylethyl)ethane-1,2-diamine
PubChem CID120872144
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC NameN'-(1,2-oxazol-3-ylmethyl)-N'-(2-phenylethyl)ethane-1,2-diamine
SMILESNCCN(CCc1ccccc1)Cc1ccon1
InChIInChI=1S/C14H19N3O/c15-8-10-17(12-14-7-11-18-16-14)9-6-13-4-2-1-3-5-13/h1-5,7,11H,6,8-10,12,15H2
InChIKeyCRFGVJMLTPHKCT-UHFFFAOYSA-N
XLogP1.68
TPSA55.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-(2-phenylethyl)-N'-[(2-phenyl-1,3-oxazol-4-yl)methyl]ethane-1,2-diamine;hydrochloride
CID 120872561
N'-(2-phenylethyl)-N'-[(3-phenyl-1,2-oxazol-5-yl)methyl]ethane-1,2-diamine
CID 120871706
N'-methyl-N'-(1,2-oxazol-3-ylmethyl)ethane-1,2-diamine
CID 115869778
N'-[(6-ethoxy-2-pyridinyl)methyl]-N'-(2-phenylethyl)ethane-1,2-diamine
CID 120912540
N'-(2-phenylethyl)-N'-(quinolin-3-ylmethyl)ethane-1,2-diamine;hydrochloride
CID 120912617
N-[[4-[[bis(2-phenylethyl)amino]methyl]phenyl]methyl]-2-phenyl-N-(2-phenylethyl)ethanamine
CID 59482591
N'-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N'-(2-phenylethyl)ethane-1,2-diamine;hydrochloride
CID 120872425
N'-[(3-methylimidazol-4-yl)methyl]-N'-(2-phenylethyl)ethane-1,2-diamine
CID 120913006
N'-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]-N'-(2-phenylethyl)ethane-1,2-diamine;hydrochloride
CID 120871998
N'-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]-N'-(2-phenylethyl)ethane-1,2-diamine
CID 120872650
N'-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methyl]-N'-(2-phenylethyl)ethane-1,2-diamine;hydrochloride
CID 120912627
3-[[benzyl(1,2-oxazol-3-ylmethyl)amino]methyl]benzamide;hydroiodide
CID 154853394

Frequently Asked Questions

What is the IUPAC name of N'-(1,2-oxazol-3-ylmethyl)-N'-(2-phenylethyl)ethane-1,2-diamine?
The IUPAC name of N'-(1,2-oxazol-3-ylmethyl)-N'-(2-phenylethyl)ethane-1,2-diamine (CID 120872144) is N'-(1,2-oxazol-3-ylmethyl)-N'-(2-phenylethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(1,2-oxazol-3-ylmethyl)-N'-(2-phenylethyl)ethane-1,2-diamine?
The canonical SMILES for N'-(1,2-oxazol-3-ylmethyl)-N'-(2-phenylethyl)ethane-1,2-diamine is NCCN(CCc1ccccc1)Cc1ccon1.
What is the InChIKey of N'-(1,2-oxazol-3-ylmethyl)-N'-(2-phenylethyl)ethane-1,2-diamine?
The InChIKey is CRFGVJMLTPHKCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c15-8-10-17(12-14-7-11-18-16-14)9-6-13-4-2-1-3-5-13/h1-5,7,11H,6,8-10,12,15H2.
What are the key properties of N'-(1,2-oxazol-3-ylmethyl)-N'-(2-phenylethyl)ethane-1,2-diamine?
N'-(1,2-oxazol-3-ylmethyl)-N'-(2-phenylethyl)ethane-1,2-diamine has a molecular weight of 245.33 g/mol, XLogP of 1.68, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1,2-oxazol-3-ylmethyl)-N'-(2-phenylethyl)ethane-1,2-diamine is sourced from PubChem (CID 120872144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).