2,3,4,5,6-pentafluoro-N-(1,2-oxazol-3-ylmethyl)aniline

C10H5F5N2O — CID 81177136

IUPAC2,3,4,5,6-pentafluoro-N-(1,2-oxazol-3-ylmethyl)aniline
SMILESFc1c(F)c(F)c(NCc2ccon2)c(F)c1F
InChIInChI=1S/C10H5F5N2O/c11-5-6(12)8(14)10(9(15)7(5)13)16-3-4-1-2-18-17-4/h1-2,16H,3H2
InChIKeyJUXSFQDQLNIKTQ-UHFFFAOYSA-N
MW264.15 g/mol
LogP2.98
Rot. Bonds3

About 2,3,4,5,6-pentafluoro-N-(1,2-oxazol-3-ylmethyl)aniline

2,3,4,5,6-pentafluoro-N-(1,2-oxazol-3-ylmethyl)aniline (PubChem CID 81177136) has the molecular formula C10H5F5N2O and a molecular weight of 264.15 g/mol. Its IUPAC name is 2,3,4,5,6-pentafluoro-N-(1,2-oxazol-3-ylmethyl)aniline.

Molecular Properties

Compound Name2,3,4,5,6-pentafluoro-N-(1,2-oxazol-3-ylmethyl)aniline
PubChem CID81177136
Molecular FormulaC10H5F5N2O
Molecular Weight264.15 g/mol
Exact Mass264.03
IUPAC Name2,3,4,5,6-pentafluoro-N-(1,2-oxazol-3-ylmethyl)aniline
SMILESFc1c(F)c(F)c(NCc2ccon2)c(F)c1F
InChIInChI=1S/C10H5F5N2O/c11-5-6(12)8(14)10(9(15)7(5)13)16-3-4-1-2-18-17-4/h1-2,16H,3H2
InChIKeyJUXSFQDQLNIKTQ-UHFFFAOYSA-N
XLogP2.98
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.15
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,5,6-pentafluoro-N-(1,2-oxazol-3-ylmethyl)aniline?
The IUPAC name of 2,3,4,5,6-pentafluoro-N-(1,2-oxazol-3-ylmethyl)aniline (CID 81177136) is 2,3,4,5,6-pentafluoro-N-(1,2-oxazol-3-ylmethyl)aniline.
What is the SMILES notation for 2,3,4,5,6-pentafluoro-N-(1,2-oxazol-3-ylmethyl)aniline?
The canonical SMILES for 2,3,4,5,6-pentafluoro-N-(1,2-oxazol-3-ylmethyl)aniline is Fc1c(F)c(F)c(NCc2ccon2)c(F)c1F.
What is the InChIKey of 2,3,4,5,6-pentafluoro-N-(1,2-oxazol-3-ylmethyl)aniline?
The InChIKey is JUXSFQDQLNIKTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5F5N2O/c11-5-6(12)8(14)10(9(15)7(5)13)16-3-4-1-2-18-17-4/h1-2,16H,3H2.
What are the key properties of 2,3,4,5,6-pentafluoro-N-(1,2-oxazol-3-ylmethyl)aniline?
2,3,4,5,6-pentafluoro-N-(1,2-oxazol-3-ylmethyl)aniline has a molecular weight of 264.15 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5,6-pentafluoro-N-(1,2-oxazol-3-ylmethyl)aniline is sourced from PubChem (CID 81177136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).