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

C10H8ClFN2O2 — CID 117358478

IUPAC5-(3-chloro-2-fluoro-5-methoxyphenyl)-1,2-oxazol-3-amine
SMILESCOc1cc(Cl)c(F)c(-c2cc(N)no2)c1
InChIInChI=1S/C10H8ClFN2O2/c1-15-5-2-6(10(12)7(11)3-5)8-4-9(13)14-16-8/h2-4H,1H3,(H2,13,14)
InChIKeyMPALTNBPSYPSJQ-UHFFFAOYSA-N
MW242.64 g/mol
LogP2.72
Rot. Bonds2

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

5-(3-chloro-2-fluoro-5-methoxyphenyl)-1,2-oxazol-3-amine (PubChem CID 117358478) has the molecular formula C10H8ClFN2O2 and a molecular weight of 242.64 g/mol. Its IUPAC name is 5-(3-chloro-2-fluoro-5-methoxyphenyl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(3-chloro-2-fluoro-5-methoxyphenyl)-1,2-oxazol-3-amine
PubChem CID117358478
Molecular FormulaC10H8ClFN2O2
Molecular Weight242.64 g/mol
Exact Mass242.03
IUPAC Name5-(3-chloro-2-fluoro-5-methoxyphenyl)-1,2-oxazol-3-amine
SMILESCOc1cc(Cl)c(F)c(-c2cc(N)no2)c1
InChIInChI=1S/C10H8ClFN2O2/c1-15-5-2-6(10(12)7(11)3-5)8-4-9(13)14-16-8/h2-4H,1H3,(H2,13,14)
InChIKeyMPALTNBPSYPSJQ-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

5-(5-chloro-2-fluoro-3-methoxyphenyl)-1,2-oxazol-3-amine
CID 117358471
5-(2-fluoro-5-methoxyphenyl)-1,2-oxazol-3-amine
CID 117297135
2-(3-amino-1,2-oxazol-5-yl)-4-methoxy-6-methylphenol
CID 136993780
5-(5-bromo-2-fluoro-3-methoxyphenyl)-1,2-oxazol-3-amine
CID 117462604
5-(4,5-difluoro-2,3-dimethoxyphenyl)-1,2-oxazol-3-amine
CID 117393411
5-(5-chloro-2,3-dimethoxy-4-methylphenyl)-1,2-oxazol-3-amine
CID 117425219
5-(2-chloro-5-methoxy-4-methylphenyl)-1,2-oxazol-3-amine
CID 117349810
5-(2,6-difluoro-3,5-dimethoxyphenyl)-1,2-oxazol-3-amine
CID 117393407
5-(4-fluoro-2,3-dimethoxyphenyl)-1,2-oxazol-3-amine
CID 117348486
5-[2,3-difluoro-5-(methoxymethyl)phenyl]-1,2-oxazol-3-amine
CID 117352540
3-(3-amino-1,2-oxazol-5-yl)-2-fluoro-6-methoxyphenol
CID 117321250
5-(6-chloro-2-fluoro-3-methylphenyl)-1,2-oxazol-3-amine
CID 117325876

Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-2-fluoro-5-methoxyphenyl)-1,2-oxazol-3-amine?
The IUPAC name of 5-(3-chloro-2-fluoro-5-methoxyphenyl)-1,2-oxazol-3-amine (CID 117358478) is 5-(3-chloro-2-fluoro-5-methoxyphenyl)-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(3-chloro-2-fluoro-5-methoxyphenyl)-1,2-oxazol-3-amine?
The canonical SMILES for 5-(3-chloro-2-fluoro-5-methoxyphenyl)-1,2-oxazol-3-amine is COc1cc(Cl)c(F)c(-c2cc(N)no2)c1.
What is the InChIKey of 5-(3-chloro-2-fluoro-5-methoxyphenyl)-1,2-oxazol-3-amine?
The InChIKey is MPALTNBPSYPSJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClFN2O2/c1-15-5-2-6(10(12)7(11)3-5)8-4-9(13)14-16-8/h2-4H,1H3,(H2,13,14).
What are the key properties of 5-(3-chloro-2-fluoro-5-methoxyphenyl)-1,2-oxazol-3-amine?
5-(3-chloro-2-fluoro-5-methoxyphenyl)-1,2-oxazol-3-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 5-(3-chloro-2-fluoro-5-methoxyphenyl)-1,2-oxazol-3-amine is sourced from PubChem (CID 117358478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).