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

C9H10F2N4O — CID 79496127

IUPACN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(1,2-oxazol-3-yl)methanamine
SMILESFC(F)n1ccnc1CNCc1ccon1
InChIInChI=1S/C9H10F2N4O/c10-9(11)15-3-2-13-8(15)6-12-5-7-1-4-16-14-7/h1-4,9,12H,5-6H2
InChIKeyHTFRTWMACYEHBT-UHFFFAOYSA-N
MW228.20 g/mol
LogP1.56
Rot. Bonds5

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

N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(1,2-oxazol-3-yl)methanamine (PubChem CID 79496127) has the molecular formula C9H10F2N4O and a molecular weight of 228.20 g/mol. Its IUPAC name is N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(1,2-oxazol-3-yl)methanamine.

Molecular Properties

Compound NameN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(1,2-oxazol-3-yl)methanamine
PubChem CID79496127
Molecular FormulaC9H10F2N4O
Molecular Weight228.20 g/mol
Exact Mass228.08
IUPAC NameN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(1,2-oxazol-3-yl)methanamine
SMILESFC(F)n1ccnc1CNCc1ccon1
InChIInChI=1S/C9H10F2N4O/c10-9(11)15-3-2-13-8(15)6-12-5-7-1-4-16-14-7/h1-4,9,12H,5-6H2
InChIKeyHTFRTWMACYEHBT-UHFFFAOYSA-N
XLogP1.56
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.20
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(1,2-oxazol-3-yl)methanamine?
The IUPAC name of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(1,2-oxazol-3-yl)methanamine (CID 79496127) is N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(1,2-oxazol-3-yl)methanamine.
What is the SMILES notation for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(1,2-oxazol-3-yl)methanamine?
The canonical SMILES for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(1,2-oxazol-3-yl)methanamine is FC(F)n1ccnc1CNCc1ccon1.
What is the InChIKey of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(1,2-oxazol-3-yl)methanamine?
The InChIKey is HTFRTWMACYEHBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2N4O/c10-9(11)15-3-2-13-8(15)6-12-5-7-1-4-16-14-7/h1-4,9,12H,5-6H2.
What are the key properties of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(1,2-oxazol-3-yl)methanamine?
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(1,2-oxazol-3-yl)methanamine has a molecular weight of 228.20 g/mol, XLogP of 1.56, 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-(1,2-oxazol-3-yl)methanamine is sourced from PubChem (CID 79496127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).