N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(5-methyl-1,3-oxazol-2-yl)ethanamine

C11H14F2N4O — CID 113429100

IUPACN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(5-methyl-1,3-oxazol-2-yl)ethanamine
SMILESCc1cnc(C(C)NCc2nccn2C(F)F)o1
InChIInChI=1S/C11H14F2N4O/c1-7-5-16-10(18-7)8(2)15-6-9-14-3-4-17(9)11(12)13/h3-5,8,11,15H,6H2,1-2H3
InChIKeyDLPUUTLGALUKSX-UHFFFAOYSA-N
MW256.26 g/mol
LogP2.43
Rot. Bonds5

About N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(5-methyl-1,3-oxazol-2-yl)ethanamine

N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(5-methyl-1,3-oxazol-2-yl)ethanamine (PubChem CID 113429100) has the molecular formula C11H14F2N4O and a molecular weight of 256.26 g/mol. Its IUPAC name is N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(5-methyl-1,3-oxazol-2-yl)ethanamine.

Molecular Properties

Compound NameN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(5-methyl-1,3-oxazol-2-yl)ethanamine
PubChem CID113429100
Molecular FormulaC11H14F2N4O
Molecular Weight256.26 g/mol
Exact Mass256.11
IUPAC NameN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(5-methyl-1,3-oxazol-2-yl)ethanamine
SMILESCc1cnc(C(C)NCc2nccn2C(F)F)o1
InChIInChI=1S/C11H14F2N4O/c1-7-5-16-10(18-7)8(2)15-6-9-14-3-4-17(9)11(12)13/h3-5,8,11,15H,6H2,1-2H3
InChIKeyDLPUUTLGALUKSX-UHFFFAOYSA-N
XLogP2.43
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(5-methyl-1,3-oxazol-2-yl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(5-methyl-1,3-oxazol-2-yl)ethanamine?
The IUPAC name of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(5-methyl-1,3-oxazol-2-yl)ethanamine (CID 113429100) is N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(5-methyl-1,3-oxazol-2-yl)ethanamine.
What is the SMILES notation for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(5-methyl-1,3-oxazol-2-yl)ethanamine?
The canonical SMILES for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(5-methyl-1,3-oxazol-2-yl)ethanamine is Cc1cnc(C(C)NCc2nccn2C(F)F)o1.
What is the InChIKey of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(5-methyl-1,3-oxazol-2-yl)ethanamine?
The InChIKey is DLPUUTLGALUKSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N4O/c1-7-5-16-10(18-7)8(2)15-6-9-14-3-4-17(9)11(12)13/h3-5,8,11,15H,6H2,1-2H3.
What are the key properties of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(5-methyl-1,3-oxazol-2-yl)ethanamine?
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(5-methyl-1,3-oxazol-2-yl)ethanamine has a molecular weight of 256.26 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(5-methyl-1,3-oxazol-2-yl)ethanamine is sourced from PubChem (CID 113429100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).