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

C9H5ClF2N2O2 — CID 137011591

IUPAC4-(5-amino-1,2-oxazol-3-yl)-2-chloro-3,5-difluorophenol
SMILESNc1cc(-c2c(F)cc(O)c(Cl)c2F)no1
InChIInChI=1S/C9H5ClF2N2O2/c10-8-5(15)1-3(11)7(9(8)12)4-2-6(13)16-14-4/h1-2,15H,13H2
InChIKeyKYUHVXDJYFUYRK-UHFFFAOYSA-N
MW246.60 g/mol
LogP2.56
Rot. Bonds1

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

4-(5-amino-1,2-oxazol-3-yl)-2-chloro-3,5-difluorophenol (PubChem CID 137011591) has the molecular formula C9H5ClF2N2O2 and a molecular weight of 246.60 g/mol. Its IUPAC name is 4-(5-amino-1,2-oxazol-3-yl)-2-chloro-3,5-difluorophenol.

Molecular Properties

Compound Name4-(5-amino-1,2-oxazol-3-yl)-2-chloro-3,5-difluorophenol
PubChem CID137011591
Molecular FormulaC9H5ClF2N2O2
Molecular Weight246.60 g/mol
Exact Mass246.00
IUPAC Name4-(5-amino-1,2-oxazol-3-yl)-2-chloro-3,5-difluorophenol
SMILESNc1cc(-c2c(F)cc(O)c(Cl)c2F)no1
InChIInChI=1S/C9H5ClF2N2O2/c10-8-5(15)1-3(11)7(9(8)12)4-2-6(13)16-14-4/h1-2,15H,13H2
InChIKeyKYUHVXDJYFUYRK-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-3,4-difluorophenol
CID 137011592
3-(2,3,4,5,6-pentafluorophenyl)-1,2-oxazol-5-amine
CID 43608008
3-(2-bromo-4-chloro-3,5,6-trifluorophenyl)-1,2-oxazol-5-amine
CID 115112406
2-(5-amino-1,2-oxazol-3-yl)-6-chloro-4-fluoro-3-methylphenol
CID 136952346
2-(5-amino-1,2-oxazol-3-yl)benzene-1,3-diol
CID 137015303
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)-3-chloro-2-methoxy-5-methylphenol
CID 136942354
3-(3-ethyl-2,6-difluorophenyl)-1,2-oxazol-5-amine
CID 117321351
3-(5-amino-1,2-oxazol-3-yl)-2,6-difluorophenol
CID 117302459
2-(5-amino-1,2-oxazol-3-yl)-5-fluoro-4-methoxyphenol
CID 136968465
4-(5-amino-1,2-oxazol-3-yl)-5-fluoro-2-methoxyphenol
CID 136968470

Frequently Asked Questions

What is the IUPAC name of 4-(5-amino-1,2-oxazol-3-yl)-2-chloro-3,5-difluorophenol?
The IUPAC name of 4-(5-amino-1,2-oxazol-3-yl)-2-chloro-3,5-difluorophenol (CID 137011591) is 4-(5-amino-1,2-oxazol-3-yl)-2-chloro-3,5-difluorophenol.
What is the SMILES notation for 4-(5-amino-1,2-oxazol-3-yl)-2-chloro-3,5-difluorophenol?
The canonical SMILES for 4-(5-amino-1,2-oxazol-3-yl)-2-chloro-3,5-difluorophenol is Nc1cc(-c2c(F)cc(O)c(Cl)c2F)no1.
What is the InChIKey of 4-(5-amino-1,2-oxazol-3-yl)-2-chloro-3,5-difluorophenol?
The InChIKey is KYUHVXDJYFUYRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5ClF2N2O2/c10-8-5(15)1-3(11)7(9(8)12)4-2-6(13)16-14-4/h1-2,15H,13H2.
What are the key properties of 4-(5-amino-1,2-oxazol-3-yl)-2-chloro-3,5-difluorophenol?
4-(5-amino-1,2-oxazol-3-yl)-2-chloro-3,5-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 4-(5-amino-1,2-oxazol-3-yl)-2-chloro-3,5-difluorophenol is sourced from PubChem (CID 137011591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).