N-[[5-(2,4-difluorophenyl)-1,2-oxazol-4-yl]methyl]propan-2-amine

C13H14F2N2O — CID 65239826

IUPACN-[[5-(2,4-difluorophenyl)-1,2-oxazol-4-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cnoc1-c1ccc(F)cc1F
InChIInChI=1S/C13H14F2N2O/c1-8(2)16-6-9-7-17-18-13(9)11-4-3-10(14)5-12(11)15/h3-5,7-8,16H,6H2,1-2H3
InChIKeyOZDWNPCWAUWZJS-UHFFFAOYSA-N
MW252.26 g/mol
LogP3.12
Rot. Bonds4

About N-[[5-(2,4-difluorophenyl)-1,2-oxazol-4-yl]methyl]propan-2-amine

N-[[5-(2,4-difluorophenyl)-1,2-oxazol-4-yl]methyl]propan-2-amine (PubChem CID 65239826) has the molecular formula C13H14F2N2O and a molecular weight of 252.26 g/mol. Its IUPAC name is N-[[5-(2,4-difluorophenyl)-1,2-oxazol-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-(2,4-difluorophenyl)-1,2-oxazol-4-yl]methyl]propan-2-amine
PubChem CID65239826
Molecular FormulaC13H14F2N2O
Molecular Weight252.26 g/mol
Exact Mass252.11
IUPAC NameN-[[5-(2,4-difluorophenyl)-1,2-oxazol-4-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cnoc1-c1ccc(F)cc1F
InChIInChI=1S/C13H14F2N2O/c1-8(2)16-6-9-7-17-18-13(9)11-4-3-10(14)5-12(11)15/h3-5,7-8,16H,6H2,1-2H3
InChIKeyOZDWNPCWAUWZJS-UHFFFAOYSA-N
XLogP3.12
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.26
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(2,4-difluorophenyl)-1,2-oxazol-4-yl]methyl]propan-2-amine?
The IUPAC name of N-[[5-(2,4-difluorophenyl)-1,2-oxazol-4-yl]methyl]propan-2-amine (CID 65239826) is N-[[5-(2,4-difluorophenyl)-1,2-oxazol-4-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-(2,4-difluorophenyl)-1,2-oxazol-4-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-(2,4-difluorophenyl)-1,2-oxazol-4-yl]methyl]propan-2-amine is CC(C)NCc1cnoc1-c1ccc(F)cc1F.
What is the InChIKey of N-[[5-(2,4-difluorophenyl)-1,2-oxazol-4-yl]methyl]propan-2-amine?
The InChIKey is OZDWNPCWAUWZJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N2O/c1-8(2)16-6-9-7-17-18-13(9)11-4-3-10(14)5-12(11)15/h3-5,7-8,16H,6H2,1-2H3.
What are the key properties of N-[[5-(2,4-difluorophenyl)-1,2-oxazol-4-yl]methyl]propan-2-amine?
N-[[5-(2,4-difluorophenyl)-1,2-oxazol-4-yl]methyl]propan-2-amine has a molecular weight of 252.26 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2,4-difluorophenyl)-1,2-oxazol-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 65239826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).