5-(2-chloro-3,5-difluorophenyl)-1,2-oxazol-3-amine

C9H5ClF2N2O — CID 117333114

IUPAC5-(2-chloro-3,5-difluorophenyl)-1,2-oxazol-3-amine
SMILESNc1cc(-c2cc(F)cc(F)c2Cl)on1
InChIInChI=1S/C9H5ClF2N2O/c10-9-5(1-4(11)2-6(9)12)7-3-8(13)14-15-7/h1-3H,(H2,13,14)
InChIKeyONMRAKXZGANCJH-UHFFFAOYSA-N
MW230.60 g/mol
LogP2.86
Rot. Bonds1

About 5-(2-chloro-3,5-difluorophenyl)-1,2-oxazol-3-amine

5-(2-chloro-3,5-difluorophenyl)-1,2-oxazol-3-amine (PubChem CID 117333114) has the molecular formula C9H5ClF2N2O and a molecular weight of 230.60 g/mol. Its IUPAC name is 5-(2-chloro-3,5-difluorophenyl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(2-chloro-3,5-difluorophenyl)-1,2-oxazol-3-amine
PubChem CID117333114
Molecular FormulaC9H5ClF2N2O
Molecular Weight230.60 g/mol
Exact Mass230.01
IUPAC Name5-(2-chloro-3,5-difluorophenyl)-1,2-oxazol-3-amine
SMILESNc1cc(-c2cc(F)cc(F)c2Cl)on1
InChIInChI=1S/C9H5ClF2N2O/c10-9-5(1-4(11)2-6(9)12)7-3-8(13)14-15-7/h1-3H,(H2,13,14)
InChIKeyONMRAKXZGANCJH-UHFFFAOYSA-N
XLogP2.86
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.60
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(5-bromo-2-chloro-4-fluorophenyl)-1,2-oxazol-3-amine
CID 117471036
2-(3-amino-1,2-oxazol-5-yl)-4-fluorophenol
CID 137015317
5-(2,3,4-trifluorophenyl)-1,2-oxazol-3-amine
CID 79754981
5-(2,5-dichlorophenyl)-1,2-oxazol-3-amine
CID 66198012
5-(2-bromo-3-fluoro-5-methylphenyl)-1,2-oxazol-3-amine
CID 117430199
5-[2-(dimethylamino)-3-fluorophenyl]-1,2-oxazol-3-amine
CID 115111733
5-(6-fluoro-1,3-benzodioxol-5-yl)-1,2-oxazol-3-amine
CID 117317439
5-(5-chloro-2-fluoro-3-methoxyphenyl)-1,2-oxazol-3-amine
CID 117358471
5-(3-chloro-2-fluoro-5-methoxyphenyl)-1,2-oxazol-3-amine
CID 117358478
5-(3-chloro-2,4-dimethoxyphenyl)-1,2-oxazol-3-amine
CID 117389690
3-(3-amino-1,2-oxazol-5-yl)-5-chloro-4-fluorobenzene-1,2-diol
CID 137011505
5-[5-(difluoromethyl)-2,3-difluorophenyl]-1,2-oxazol-3-amine
CID 117367117

Frequently Asked Questions

What is the IUPAC name of 5-(2-chloro-3,5-difluorophenyl)-1,2-oxazol-3-amine?
The IUPAC name of 5-(2-chloro-3,5-difluorophenyl)-1,2-oxazol-3-amine (CID 117333114) is 5-(2-chloro-3,5-difluorophenyl)-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(2-chloro-3,5-difluorophenyl)-1,2-oxazol-3-amine?
The canonical SMILES for 5-(2-chloro-3,5-difluorophenyl)-1,2-oxazol-3-amine is Nc1cc(-c2cc(F)cc(F)c2Cl)on1.
What is the InChIKey of 5-(2-chloro-3,5-difluorophenyl)-1,2-oxazol-3-amine?
The InChIKey is ONMRAKXZGANCJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5ClF2N2O/c10-9-5(1-4(11)2-6(9)12)7-3-8(13)14-15-7/h1-3H,(H2,13,14).
What are the key properties of 5-(2-chloro-3,5-difluorophenyl)-1,2-oxazol-3-amine?
5-(2-chloro-3,5-difluorophenyl)-1,2-oxazol-3-amine has a molecular weight of 230.60 g/mol, XLogP of 2.86, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloro-3,5-difluorophenyl)-1,2-oxazol-3-amine is sourced from PubChem (CID 117333114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).