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

C14H19N3O — CID 106511670

IUPACN'-benzyl-N'-[(3-methyl-1,2-oxazol-5-yl)methyl]ethane-1,2-diamine
SMILESCc1cc(CN(CCN)Cc2ccccc2)on1
InChIInChI=1S/C14H19N3O/c1-12-9-14(18-16-12)11-17(8-7-15)10-13-5-3-2-4-6-13/h2-6,9H,7-8,10-11,15H2,1H3
InChIKeyICURJHUTVWCTTB-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.94
Rot. Bonds6

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

N'-benzyl-N'-[(3-methyl-1,2-oxazol-5-yl)methyl]ethane-1,2-diamine (PubChem CID 106511670) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is N'-benzyl-N'-[(3-methyl-1,2-oxazol-5-yl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-benzyl-N'-[(3-methyl-1,2-oxazol-5-yl)methyl]ethane-1,2-diamine
PubChem CID106511670
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC NameN'-benzyl-N'-[(3-methyl-1,2-oxazol-5-yl)methyl]ethane-1,2-diamine
SMILESCc1cc(CN(CCN)Cc2ccccc2)on1
InChIInChI=1S/C14H19N3O/c1-12-9-14(18-16-12)11-17(8-7-15)10-13-5-3-2-4-6-13/h2-6,9H,7-8,10-11,15H2,1H3
InChIKeyICURJHUTVWCTTB-UHFFFAOYSA-N
XLogP1.94
TPSA55.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N',N'-dibenzylethane-1,2-diamine;hydrochloride
CID 6460674
N'-methyl-N'-[(3-methyl-1,2-oxazol-5-yl)methyl]ethane-1,2-diamine
CID 62686290
N'-benzyl-N'-[(3-methylphenyl)methyl]ethane-1,2-diamine
CID 39357118
N'-benzyl-N'-(trimethylsilylmethyl)ethane-1,2-diamine
CID 122164959
N'-(2-phenylethyl)-N'-[(3-phenyl-1,2-oxazol-5-yl)methyl]ethane-1,2-diamine
CID 120871706
N',N'-dibenzylethane-1,2-diamine;ethenamine
CID 67896793
N'-benzyl-N'-[(4-methoxy-6-methyl-2-pyridinyl)methyl]ethane-1,2-diamine
CID 82886139
N'-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]-N'-(2-phenylethyl)ethane-1,2-diamine;hydrochloride
CID 120871998
3-[[2-aminoethyl(benzyl)amino]methyl]benzonitrile
CID 106511326
N'-benzyl-N'-[(2-methyl-1,3-thiazol-4-yl)methyl]ethane-1,2-diamine
CID 104869995
N'-benzyl-N'-[(2-methylpyrimidin-4-yl)methyl]ethane-1,2-diamine
CID 106511380
3-imidazol-1-yl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-(pyridin-4-ylmethyl)propan-1-amine
CID 77094846

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N'-[(3-methyl-1,2-oxazol-5-yl)methyl]ethane-1,2-diamine?
The IUPAC name of N'-benzyl-N'-[(3-methyl-1,2-oxazol-5-yl)methyl]ethane-1,2-diamine (CID 106511670) is N'-benzyl-N'-[(3-methyl-1,2-oxazol-5-yl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N'-benzyl-N'-[(3-methyl-1,2-oxazol-5-yl)methyl]ethane-1,2-diamine?
The canonical SMILES for N'-benzyl-N'-[(3-methyl-1,2-oxazol-5-yl)methyl]ethane-1,2-diamine is Cc1cc(CN(CCN)Cc2ccccc2)on1.
What is the InChIKey of N'-benzyl-N'-[(3-methyl-1,2-oxazol-5-yl)methyl]ethane-1,2-diamine?
The InChIKey is ICURJHUTVWCTTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-12-9-14(18-16-12)11-17(8-7-15)10-13-5-3-2-4-6-13/h2-6,9H,7-8,10-11,15H2,1H3.
What are the key properties of N'-benzyl-N'-[(3-methyl-1,2-oxazol-5-yl)methyl]ethane-1,2-diamine?
N'-benzyl-N'-[(3-methyl-1,2-oxazol-5-yl)methyl]ethane-1,2-diamine has a molecular weight of 245.33 g/mol, XLogP of 1.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N'-[(3-methyl-1,2-oxazol-5-yl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 106511670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).