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

C12H16F2N4O — CID 78998117

IUPACN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethanamine
SMILESCc1noc(C)c1C(C)NCc1nccn1C(F)F
InChIInChI=1S/C12H16F2N4O/c1-7(11-8(2)17-19-9(11)3)16-6-10-15-4-5-18(10)12(13)14/h4-5,7,12,16H,6H2,1-3H3
InChIKeyYCNSLWCOFWVIQX-UHFFFAOYSA-N
MW270.28 g/mol
LogP2.73
Rot. Bonds5

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

N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethanamine (PubChem CID 78998117) has the molecular formula C12H16F2N4O and a molecular weight of 270.28 g/mol. Its IUPAC name is N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethanamine.

Molecular Properties

Compound NameN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethanamine
PubChem CID78998117
Molecular FormulaC12H16F2N4O
Molecular Weight270.28 g/mol
Exact Mass270.13
IUPAC NameN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethanamine
SMILESCc1noc(C)c1C(C)NCc1nccn1C(F)F
InChIInChI=1S/C12H16F2N4O/c1-7(11-8(2)17-19-9(11)3)16-6-10-15-4-5-18(10)12(13)14/h4-5,7,12,16H,6H2,1-3H3
InChIKeyYCNSLWCOFWVIQX-UHFFFAOYSA-N
XLogP2.73
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 52.73
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-(3,5-dimethyl-1,2-oxazol-4-yl)ethanamine?
The IUPAC name of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethanamine (CID 78998117) is N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethanamine.
What is the SMILES notation for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethanamine?
The canonical SMILES for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethanamine is Cc1noc(C)c1C(C)NCc1nccn1C(F)F.
What is the InChIKey of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethanamine?
The InChIKey is YCNSLWCOFWVIQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N4O/c1-7(11-8(2)17-19-9(11)3)16-6-10-15-4-5-18(10)12(13)14/h4-5,7,12,16H,6H2,1-3H3.
What are the key properties of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethanamine?
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethanamine has a molecular weight of 270.28 g/mol, XLogP of 2.73, 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-(3,5-dimethyl-1,2-oxazol-4-yl)ethanamine is sourced from PubChem (CID 78998117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).