3-(3-chloro-6-fluoro-2-methoxyphenyl)-1,2-oxazol-5-amine

C10H8ClFN2O2 — CID 117358433

IUPAC3-(3-chloro-6-fluoro-2-methoxyphenyl)-1,2-oxazol-5-amine
SMILESCOc1c(Cl)ccc(F)c1-c1cc(N)on1
InChIInChI=1S/C10H8ClFN2O2/c1-15-10-5(11)2-3-6(12)9(10)7-4-8(13)16-14-7/h2-4H,13H2,1H3
InChIKeyCAYAZCGMFUZJSM-UHFFFAOYSA-N
MW242.64 g/mol
LogP2.72
Rot. Bonds2

About 3-(3-chloro-6-fluoro-2-methoxyphenyl)-1,2-oxazol-5-amine

3-(3-chloro-6-fluoro-2-methoxyphenyl)-1,2-oxazol-5-amine (PubChem CID 117358433) has the molecular formula C10H8ClFN2O2 and a molecular weight of 242.64 g/mol. Its IUPAC name is 3-(3-chloro-6-fluoro-2-methoxyphenyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(3-chloro-6-fluoro-2-methoxyphenyl)-1,2-oxazol-5-amine
PubChem CID117358433
Molecular FormulaC10H8ClFN2O2
Molecular Weight242.64 g/mol
Exact Mass242.03
IUPAC Name3-(3-chloro-6-fluoro-2-methoxyphenyl)-1,2-oxazol-5-amine
SMILESCOc1c(Cl)ccc(F)c1-c1cc(N)on1
InChIInChI=1S/C10H8ClFN2O2/c1-15-10-5(11)2-3-6(12)9(10)7-4-8(13)16-14-7/h2-4H,13H2,1H3
InChIKeyCAYAZCGMFUZJSM-UHFFFAOYSA-N
XLogP2.72
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.64
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(5-chloro-3-fluoro-2-methoxy-6-methylphenyl)-1,2-oxazol-5-amine
CID 117394781
3-(5-chloro-4-fluoro-2,3-dimethoxyphenyl)-1,2-oxazol-5-amine
CID 117434268
3-(2,6-dimethoxy-3-methylphenyl)-1,2-oxazol-5-amine
CID 117340342
3-(5-chloro-2,3-dimethoxyphenyl)-1,2-oxazol-5-amine
CID 117389651
4-(5-amino-1,2-oxazol-3-yl)-3-chloro-2-methoxy-5-methylphenol
CID 136942354
3-(2-methoxy-3,4,6-trimethylphenyl)-1,2-oxazol-5-amine
CID 115112351
2-(5-amino-1,2-oxazol-3-yl)-6-chloro-4-fluoro-3-methylphenol
CID 136952346
[3-(3-chloro-6-fluoro-2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117397354
3-(5-chloro-2-fluoro-4-methylphenyl)-1,2-oxazol-5-amine
CID 117325886
3-(3-bromo-2,6-difluorophenyl)-1,2-oxazol-5-amine
CID 117439369
3-(3-ethyl-2,6-difluorophenyl)-1,2-oxazol-5-amine
CID 117321351
6-(5-amino-1,2-oxazol-3-yl)-4-chloro-2-methoxy-3-methylphenol
CID 136942355

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-6-fluoro-2-methoxyphenyl)-1,2-oxazol-5-amine?
The IUPAC name of 3-(3-chloro-6-fluoro-2-methoxyphenyl)-1,2-oxazol-5-amine (CID 117358433) is 3-(3-chloro-6-fluoro-2-methoxyphenyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(3-chloro-6-fluoro-2-methoxyphenyl)-1,2-oxazol-5-amine?
The canonical SMILES for 3-(3-chloro-6-fluoro-2-methoxyphenyl)-1,2-oxazol-5-amine is COc1c(Cl)ccc(F)c1-c1cc(N)on1.
What is the InChIKey of 3-(3-chloro-6-fluoro-2-methoxyphenyl)-1,2-oxazol-5-amine?
The InChIKey is CAYAZCGMFUZJSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClFN2O2/c1-15-10-5(11)2-3-6(12)9(10)7-4-8(13)16-14-7/h2-4H,13H2,1H3.
What are the key properties of 3-(3-chloro-6-fluoro-2-methoxyphenyl)-1,2-oxazol-5-amine?
3-(3-chloro-6-fluoro-2-methoxyphenyl)-1,2-oxazol-5-amine has a molecular weight of 242.64 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-6-fluoro-2-methoxyphenyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 117358433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).