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

C13H17N3O — CID 62686446

IUPACN'-methyl-N'-[(3-phenyl-1,2-oxazol-5-yl)methyl]ethane-1,2-diamine
SMILESCN(CCN)Cc1cc(-c2ccccc2)no1
InChIInChI=1S/C13H17N3O/c1-16(8-7-14)10-12-9-13(15-17-12)11-5-3-2-4-6-11/h2-6,9H,7-8,10,14H2,1H3
InChIKeyWUEXZPGQHWSSFL-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.73
Rot. Bonds5

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

N'-methyl-N'-[(3-phenyl-1,2-oxazol-5-yl)methyl]ethane-1,2-diamine (PubChem CID 62686446) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is N'-methyl-N'-[(3-phenyl-1,2-oxazol-5-yl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-methyl-N'-[(3-phenyl-1,2-oxazol-5-yl)methyl]ethane-1,2-diamine
PubChem CID62686446
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC NameN'-methyl-N'-[(3-phenyl-1,2-oxazol-5-yl)methyl]ethane-1,2-diamine
SMILESCN(CCN)Cc1cc(-c2ccccc2)no1
InChIInChI=1S/C13H17N3O/c1-16(8-7-14)10-12-9-13(15-17-12)11-5-3-2-4-6-11/h2-6,9H,7-8,10,14H2,1H3
InChIKeyWUEXZPGQHWSSFL-UHFFFAOYSA-N
XLogP1.73
TPSA55.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-[(3-phenyl-1,2-oxazol-5-yl)methyl]ethane-1,2-diamine?
The IUPAC name of N'-methyl-N'-[(3-phenyl-1,2-oxazol-5-yl)methyl]ethane-1,2-diamine (CID 62686446) is N'-methyl-N'-[(3-phenyl-1,2-oxazol-5-yl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N'-methyl-N'-[(3-phenyl-1,2-oxazol-5-yl)methyl]ethane-1,2-diamine?
The canonical SMILES for N'-methyl-N'-[(3-phenyl-1,2-oxazol-5-yl)methyl]ethane-1,2-diamine is CN(CCN)Cc1cc(-c2ccccc2)no1.
What is the InChIKey of N'-methyl-N'-[(3-phenyl-1,2-oxazol-5-yl)methyl]ethane-1,2-diamine?
The InChIKey is WUEXZPGQHWSSFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-16(8-7-14)10-12-9-13(15-17-12)11-5-3-2-4-6-11/h2-6,9H,7-8,10,14H2,1H3.
What are the key properties of N'-methyl-N'-[(3-phenyl-1,2-oxazol-5-yl)methyl]ethane-1,2-diamine?
N'-methyl-N'-[(3-phenyl-1,2-oxazol-5-yl)methyl]ethane-1,2-diamine has a molecular weight of 231.30 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-[(3-phenyl-1,2-oxazol-5-yl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 62686446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).