N'-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]ethane-1,2-diamine

C8H15N3O — CID 60887968

IUPACN'-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]ethane-1,2-diamine
SMILESCc1noc(C)c1CNCCN
InChIInChI=1S/C8H15N3O/c1-6-8(5-10-4-3-9)7(2)12-11-6/h10H,3-5,9H2,1-2H3
InChIKeyWMVHYYZVBYZUFE-UHFFFAOYSA-N
MW169.23 g/mol
LogP0.34
Rot. Bonds4

About N'-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]ethane-1,2-diamine

N'-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]ethane-1,2-diamine (PubChem CID 60887968) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is N'-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]ethane-1,2-diamine
PubChem CID60887968
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC NameN'-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]ethane-1,2-diamine
SMILESCc1noc(C)c1CNCCN
InChIInChI=1S/C8H15N3O/c1-6-8(5-10-4-3-9)7(2)12-11-6/h10H,3-5,9H2,1-2H3
InChIKeyWMVHYYZVBYZUFE-UHFFFAOYSA-N
XLogP0.34
TPSA64.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]ethanol
CID 28833064
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methoxyethanamine
CID 28780758
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]ethanamine
CID 28780717
N'-tert-butyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]ethane-1,2-diamine
CID 103718793
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]ethylurea
CID 83111738
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methylsulfonylethanamine
CID 60920492
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-piperidin-1-ylpropan-1-amine
CID 28781392
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(2-methylpropoxy)propan-1-amine
CID 28781588
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-N-ethylpropanamide
CID 79241462
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N'-methyl-N'-phenylpropane-1,3-diamine
CID 28780886
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-imidazol-1-ylpropan-1-amine
CID 28833138
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(5-methyl-1H-pyrazol-4-yl)propan-1-amine
CID 60761958

Frequently Asked Questions

What is the IUPAC name of N'-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]ethane-1,2-diamine?
The IUPAC name of N'-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]ethane-1,2-diamine (CID 60887968) is N'-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]ethane-1,2-diamine?
The canonical SMILES for N'-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]ethane-1,2-diamine is Cc1noc(C)c1CNCCN.
What is the InChIKey of N'-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]ethane-1,2-diamine?
The InChIKey is WMVHYYZVBYZUFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O/c1-6-8(5-10-4-3-9)7(2)12-11-6/h10H,3-5,9H2,1-2H3.
What are the key properties of N'-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]ethane-1,2-diamine?
N'-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]ethane-1,2-diamine has a molecular weight of 169.23 g/mol, XLogP of 0.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 60887968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).