N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(2-methylpropyl)imidazol-2-amine

C13H20N4O — CID 106576138

IUPACN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(2-methylpropyl)imidazol-2-amine
SMILESCc1noc(C)c1CNc1nccn1CC(C)C
InChIInChI=1S/C13H20N4O/c1-9(2)8-17-6-5-14-13(17)15-7-12-10(3)16-18-11(12)4/h5-6,9H,7-8H2,1-4H3,(H,14,15)
InChIKeyYAESCYZNMZZSKT-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.76
Rot. Bonds5

About N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(2-methylpropyl)imidazol-2-amine

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(2-methylpropyl)imidazol-2-amine (PubChem CID 106576138) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(2-methylpropyl)imidazol-2-amine.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(2-methylpropyl)imidazol-2-amine
PubChem CID106576138
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(2-methylpropyl)imidazol-2-amine
SMILESCc1noc(C)c1CNc1nccn1CC(C)C
InChIInChI=1S/C13H20N4O/c1-9(2)8-17-6-5-14-13(17)15-7-12-10(3)16-18-11(12)4/h5-6,9H,7-8H2,1-4H3,(H,14,15)
InChIKeyYAESCYZNMZZSKT-UHFFFAOYSA-N
XLogP2.76
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(2-methylpropyl)imidazol-2-amine?
The IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(2-methylpropyl)imidazol-2-amine (CID 106576138) is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(2-methylpropyl)imidazol-2-amine.
What is the SMILES notation for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(2-methylpropyl)imidazol-2-amine?
The canonical SMILES for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(2-methylpropyl)imidazol-2-amine is Cc1noc(C)c1CNc1nccn1CC(C)C.
What is the InChIKey of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(2-methylpropyl)imidazol-2-amine?
The InChIKey is YAESCYZNMZZSKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-9(2)8-17-6-5-14-13(17)15-7-12-10(3)16-18-11(12)4/h5-6,9H,7-8H2,1-4H3,(H,14,15).
What are the key properties of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(2-methylpropyl)imidazol-2-amine?
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(2-methylpropyl)imidazol-2-amine has a molecular weight of 248.33 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(2-methylpropyl)imidazol-2-amine is sourced from PubChem (CID 106576138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).