2-[[5-(2,4-difluorophenyl)-4-propan-2-yl-1,2-oxazol-3-yl]oxy]ethanamine

C14H16F2N2O2 — CID 19596541

IUPAC2-[[5-(2,4-difluorophenyl)-4-propan-2-yl-1,2-oxazol-3-yl]oxy]ethanamine
SMILESCC(C)c1c(OCCN)noc1-c1ccc(F)cc1F
InChIInChI=1S/C14H16F2N2O2/c1-8(2)12-13(20-18-14(12)19-6-5-17)10-4-3-9(15)7-11(10)16/h3-4,7-8H,5-6,17H2,1-2H3
InChIKeyPNIDELLQXBXCJU-UHFFFAOYSA-N
MW282.29 g/mol
LogP3.08
Rot. Bonds5

About 2-[[5-(2,4-difluorophenyl)-4-propan-2-yl-1,2-oxazol-3-yl]oxy]ethanamine

2-[[5-(2,4-difluorophenyl)-4-propan-2-yl-1,2-oxazol-3-yl]oxy]ethanamine (PubChem CID 19596541) has the molecular formula C14H16F2N2O2 and a molecular weight of 282.29 g/mol. Its IUPAC name is 2-[[5-(2,4-difluorophenyl)-4-propan-2-yl-1,2-oxazol-3-yl]oxy]ethanamine.

Molecular Properties

Compound Name2-[[5-(2,4-difluorophenyl)-4-propan-2-yl-1,2-oxazol-3-yl]oxy]ethanamine
PubChem CID19596541
Molecular FormulaC14H16F2N2O2
Molecular Weight282.29 g/mol
Exact Mass282.12
IUPAC Name2-[[5-(2,4-difluorophenyl)-4-propan-2-yl-1,2-oxazol-3-yl]oxy]ethanamine
SMILESCC(C)c1c(OCCN)noc1-c1ccc(F)cc1F
InChIInChI=1S/C14H16F2N2O2/c1-8(2)12-13(20-18-14(12)19-6-5-17)10-4-3-9(15)7-11(10)16/h3-4,7-8H,5-6,17H2,1-2H3
InChIKeyPNIDELLQXBXCJU-UHFFFAOYSA-N
XLogP3.08
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.29
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(2,4-difluorophenyl)-4-propan-2-yl-1,2-oxazol-3-yl]oxy]ethanamine?
The IUPAC name of 2-[[5-(2,4-difluorophenyl)-4-propan-2-yl-1,2-oxazol-3-yl]oxy]ethanamine (CID 19596541) is 2-[[5-(2,4-difluorophenyl)-4-propan-2-yl-1,2-oxazol-3-yl]oxy]ethanamine.
What is the SMILES notation for 2-[[5-(2,4-difluorophenyl)-4-propan-2-yl-1,2-oxazol-3-yl]oxy]ethanamine?
The canonical SMILES for 2-[[5-(2,4-difluorophenyl)-4-propan-2-yl-1,2-oxazol-3-yl]oxy]ethanamine is CC(C)c1c(OCCN)noc1-c1ccc(F)cc1F.
What is the InChIKey of 2-[[5-(2,4-difluorophenyl)-4-propan-2-yl-1,2-oxazol-3-yl]oxy]ethanamine?
The InChIKey is PNIDELLQXBXCJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N2O2/c1-8(2)12-13(20-18-14(12)19-6-5-17)10-4-3-9(15)7-11(10)16/h3-4,7-8H,5-6,17H2,1-2H3.
What are the key properties of 2-[[5-(2,4-difluorophenyl)-4-propan-2-yl-1,2-oxazol-3-yl]oxy]ethanamine?
2-[[5-(2,4-difluorophenyl)-4-propan-2-yl-1,2-oxazol-3-yl]oxy]ethanamine has a molecular weight of 282.29 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(2,4-difluorophenyl)-4-propan-2-yl-1,2-oxazol-3-yl]oxy]ethanamine is sourced from PubChem (CID 19596541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).