3-(2,3,4,5,6-pentafluorophenyl)-1,2-oxazol-5-amine

C9H3F5N2O — CID 43608008

IUPAC3-(2,3,4,5,6-pentafluorophenyl)-1,2-oxazol-5-amine
SMILESNc1cc(-c2c(F)c(F)c(F)c(F)c2F)no1
InChIInChI=1S/C9H3F5N2O/c10-5-4(2-1-3(15)17-16-2)6(11)8(13)9(14)7(5)12/h1H,15H2
InChIKeyKPIGFDDAENADLH-UHFFFAOYSA-N
MW250.13 g/mol
LogP2.62
Rot. Bonds1

About 3-(2,3,4,5,6-pentafluorophenyl)-1,2-oxazol-5-amine

3-(2,3,4,5,6-pentafluorophenyl)-1,2-oxazol-5-amine (PubChem CID 43608008) has the molecular formula C9H3F5N2O and a molecular weight of 250.13 g/mol. Its IUPAC name is 3-(2,3,4,5,6-pentafluorophenyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(2,3,4,5,6-pentafluorophenyl)-1,2-oxazol-5-amine
PubChem CID43608008
Molecular FormulaC9H3F5N2O
Molecular Weight250.13 g/mol
Exact Mass250.02
IUPAC Name3-(2,3,4,5,6-pentafluorophenyl)-1,2-oxazol-5-amine
SMILESNc1cc(-c2c(F)c(F)c(F)c(F)c2F)no1
InChIInChI=1S/C9H3F5N2O/c10-5-4(2-1-3(15)17-16-2)6(11)8(13)9(14)7(5)12/h1H,15H2
InChIKeyKPIGFDDAENADLH-UHFFFAOYSA-N
XLogP2.62
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.13
LogP ≤ 52.62
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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Related Compounds

3-(2-bromo-4-chloro-3,5,6-trifluorophenyl)-1,2-oxazol-5-amine
CID 115112406
3-(3-bromo-2,6-difluorophenyl)-1,2-oxazol-5-amine
CID 117439369
3-(5-amino-1,2-oxazol-3-yl)-2,4-difluoro-5-methoxyphenol
CID 117356931
4-(5-amino-1,2-oxazol-3-yl)-2-chloro-3,5-difluorophenol
CID 137011591
3-(3-bromo-2-fluoro-5,6-dimethylphenyl)-1,2-oxazol-5-amine
CID 117458753
2-(5-amino-1,2-oxazol-3-yl)-6-chloro-3,4-difluorophenol
CID 137011592
3-(3-ethyl-2,6-difluorophenyl)-1,2-oxazol-5-amine
CID 117321351
2-(5-amino-1,2-oxazol-3-yl)benzene-1,3-diol
CID 137015303
3-(6-fluoro-1-benzofuran-7-yl)-1,2-oxazol-5-amine
CID 117310537
3-(7-chloro-6-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)-1,2-oxazol-5-amine
CID 117429491
3-(2-fluoro-3,5-dimethylphenyl)-1,2-oxazol-5-amine
CID 117294555
3-(5-amino-1,2-oxazol-3-yl)-2,6-difluorophenol
CID 117302459

Frequently Asked Questions

What is the IUPAC name of 3-(2,3,4,5,6-pentafluorophenyl)-1,2-oxazol-5-amine?
The IUPAC name of 3-(2,3,4,5,6-pentafluorophenyl)-1,2-oxazol-5-amine (CID 43608008) is 3-(2,3,4,5,6-pentafluorophenyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(2,3,4,5,6-pentafluorophenyl)-1,2-oxazol-5-amine?
The canonical SMILES for 3-(2,3,4,5,6-pentafluorophenyl)-1,2-oxazol-5-amine is Nc1cc(-c2c(F)c(F)c(F)c(F)c2F)no1.
What is the InChIKey of 3-(2,3,4,5,6-pentafluorophenyl)-1,2-oxazol-5-amine?
The InChIKey is KPIGFDDAENADLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H3F5N2O/c10-5-4(2-1-3(15)17-16-2)6(11)8(13)9(14)7(5)12/h1H,15H2.
What are the key properties of 3-(2,3,4,5,6-pentafluorophenyl)-1,2-oxazol-5-amine?
3-(2,3,4,5,6-pentafluorophenyl)-1,2-oxazol-5-amine has a molecular weight of 250.13 g/mol, XLogP of 2.62, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3,4,5,6-pentafluorophenyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 43608008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).