[5-(2,4-difluorophenyl)-1,3-oxazol-4-yl]methanamine;hydrochloride

C10H9ClF2N2O — CID 155822849

IUPAC[5-(2,4-difluorophenyl)-1,3-oxazol-4-yl]methanamine;hydrochloride
SMILESCl.NCc1ncoc1-c1ccc(F)cc1F
InChIInChI=1S/C10H8F2N2O.ClH/c11-6-1-2-7(8(12)3-6)10-9(4-13)14-5-15-10;/h1-3,5H,4,13H2;1H
InChIKeyQKXGTEVEAKKGDP-UHFFFAOYSA-N
MW246.64 g/mol
LogP2.50
Rot. Bonds2

About [5-(2,4-difluorophenyl)-1,3-oxazol-4-yl]methanamine;hydrochloride

[5-(2,4-difluorophenyl)-1,3-oxazol-4-yl]methanamine;hydrochloride (PubChem CID 155822849) has the molecular formula C10H9ClF2N2O and a molecular weight of 246.64 g/mol. Its IUPAC name is [5-(2,4-difluorophenyl)-1,3-oxazol-4-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[5-(2,4-difluorophenyl)-1,3-oxazol-4-yl]methanamine;hydrochloride
PubChem CID155822849
Molecular FormulaC10H9ClF2N2O
Molecular Weight246.64 g/mol
Exact Mass246.04
IUPAC Name[5-(2,4-difluorophenyl)-1,3-oxazol-4-yl]methanamine;hydrochloride
SMILESCl.NCc1ncoc1-c1ccc(F)cc1F
InChIInChI=1S/C10H8F2N2O.ClH/c11-6-1-2-7(8(12)3-6)10-9(4-13)14-5-15-10;/h1-3,5H,4,13H2;1H
InChIKeyQKXGTEVEAKKGDP-UHFFFAOYSA-N
XLogP2.50
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.64
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-(2,4-difluorophenyl)-1,3-oxazol-4-yl]methanamine;hydrochloride?
The IUPAC name of [5-(2,4-difluorophenyl)-1,3-oxazol-4-yl]methanamine;hydrochloride (CID 155822849) is [5-(2,4-difluorophenyl)-1,3-oxazol-4-yl]methanamine;hydrochloride.
What is the SMILES notation for [5-(2,4-difluorophenyl)-1,3-oxazol-4-yl]methanamine;hydrochloride?
The canonical SMILES for [5-(2,4-difluorophenyl)-1,3-oxazol-4-yl]methanamine;hydrochloride is Cl.NCc1ncoc1-c1ccc(F)cc1F.
What is the InChIKey of [5-(2,4-difluorophenyl)-1,3-oxazol-4-yl]methanamine;hydrochloride?
The InChIKey is QKXGTEVEAKKGDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F2N2O.ClH/c11-6-1-2-7(8(12)3-6)10-9(4-13)14-5-15-10;/h1-3,5H,4,13H2;1H.
What are the key properties of [5-(2,4-difluorophenyl)-1,3-oxazol-4-yl]methanamine;hydrochloride?
[5-(2,4-difluorophenyl)-1,3-oxazol-4-yl]methanamine;hydrochloride has a molecular weight of 246.64 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2,4-difluorophenyl)-1,3-oxazol-4-yl]methanamine;hydrochloride is sourced from PubChem (CID 155822849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).