2-(5-amino-1,2-oxazol-3-yl)-6-chloro-3,4-difluorophenol

C9H5ClF2N2O2 — CID 137011592

IUPAC2-(5-amino-1,2-oxazol-3-yl)-6-chloro-3,4-difluorophenol
SMILESNc1cc(-c2c(O)c(Cl)cc(F)c2F)no1
InChIInChI=1S/C9H5ClF2N2O2/c10-3-1-4(11)8(12)7(9(3)15)5-2-6(13)16-14-5/h1-2,15H,13H2
InChIKeyIDFHVMXIRDOZKK-UHFFFAOYSA-N
MW246.60 g/mol
LogP2.56
Rot. Bonds1

About 2-(5-amino-1,2-oxazol-3-yl)-6-chloro-3,4-difluorophenol

2-(5-amino-1,2-oxazol-3-yl)-6-chloro-3,4-difluorophenol (PubChem CID 137011592) has the molecular formula C9H5ClF2N2O2 and a molecular weight of 246.60 g/mol. Its IUPAC name is 2-(5-amino-1,2-oxazol-3-yl)-6-chloro-3,4-difluorophenol.

Molecular Properties

Compound Name2-(5-amino-1,2-oxazol-3-yl)-6-chloro-3,4-difluorophenol
PubChem CID137011592
Molecular FormulaC9H5ClF2N2O2
Molecular Weight246.60 g/mol
Exact Mass246.00
IUPAC Name2-(5-amino-1,2-oxazol-3-yl)-6-chloro-3,4-difluorophenol
SMILESNc1cc(-c2c(O)c(Cl)cc(F)c2F)no1
InChIInChI=1S/C9H5ClF2N2O2/c10-3-1-4(11)8(12)7(9(3)15)5-2-6(13)16-14-5/h1-2,15H,13H2
InChIKeyIDFHVMXIRDOZKK-UHFFFAOYSA-N
XLogP2.56
TPSA72.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.60
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(5-amino-1,2-oxazol-3-yl)-6-chloro-4-fluoro-3-methylphenol
CID 136952346
4-(5-amino-1,2-oxazol-3-yl)-2-chloro-3,5-difluorophenol
CID 137011591
3-(2,3,4,5,6-pentafluorophenyl)-1,2-oxazol-5-amine
CID 43608008
5-(5-amino-1,2-oxazol-3-yl)-7-chloro-2,3-dihydro-1,4-benzodioxin-6-ol
CID 136992021
3-(5-amino-1,2-oxazol-3-yl)-2,6-difluorophenol
CID 117302459
3-(2-bromo-4-chloro-3,5,6-trifluorophenyl)-1,2-oxazol-5-amine
CID 115112406
3-(5-chloro-3-fluoro-2-methoxy-6-methylphenyl)-1,2-oxazol-5-amine
CID 117394781
3-(5-bromo-2-chloro-4-fluorophenyl)-1,2-oxazol-5-amine
CID 117471047
5-(5-amino-1,2-oxazol-3-yl)-7-fluoro-2,3-dihydro-1,4-benzodioxin-6-ol
CID 136942211
3-(3-chloro-6-fluoro-2-methoxyphenyl)-1,2-oxazol-5-amine
CID 117358433
2-(5-amino-1,2-oxazol-3-yl)benzene-1,3-diol
CID 137015303
3-(7-chloro-6-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)-1,2-oxazol-5-amine
CID 117429491

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-1,2-oxazol-3-yl)-6-chloro-3,4-difluorophenol?
The IUPAC name of 2-(5-amino-1,2-oxazol-3-yl)-6-chloro-3,4-difluorophenol (CID 137011592) is 2-(5-amino-1,2-oxazol-3-yl)-6-chloro-3,4-difluorophenol.
What is the SMILES notation for 2-(5-amino-1,2-oxazol-3-yl)-6-chloro-3,4-difluorophenol?
The canonical SMILES for 2-(5-amino-1,2-oxazol-3-yl)-6-chloro-3,4-difluorophenol is Nc1cc(-c2c(O)c(Cl)cc(F)c2F)no1.
What is the InChIKey of 2-(5-amino-1,2-oxazol-3-yl)-6-chloro-3,4-difluorophenol?
The InChIKey is IDFHVMXIRDOZKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5ClF2N2O2/c10-3-1-4(11)8(12)7(9(3)15)5-2-6(13)16-14-5/h1-2,15H,13H2.
What are the key properties of 2-(5-amino-1,2-oxazol-3-yl)-6-chloro-3,4-difluorophenol?
2-(5-amino-1,2-oxazol-3-yl)-6-chloro-3,4-difluorophenol has a molecular weight of 246.60 g/mol, XLogP of 2.56, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-1,2-oxazol-3-yl)-6-chloro-3,4-difluorophenol is sourced from PubChem (CID 137011592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).