3-(5-chloro-4-fluoro-2,3-dimethoxyphenyl)-1,2-oxazol-5-amine

C11H10ClFN2O3 — CID 117434268

IUPAC3-(5-chloro-4-fluoro-2,3-dimethoxyphenyl)-1,2-oxazol-5-amine
SMILESCOc1c(-c2cc(N)on2)cc(Cl)c(F)c1OC
InChIInChI=1S/C11H10ClFN2O3/c1-16-10-5(7-4-8(14)18-15-7)3-6(12)9(13)11(10)17-2/h3-4H,14H2,1-2H3
InChIKeyLZJAVWIXYVPALX-UHFFFAOYSA-N
MW272.66 g/mol
LogP2.73
Rot. Bonds3

About 3-(5-chloro-4-fluoro-2,3-dimethoxyphenyl)-1,2-oxazol-5-amine

3-(5-chloro-4-fluoro-2,3-dimethoxyphenyl)-1,2-oxazol-5-amine (PubChem CID 117434268) has the molecular formula C11H10ClFN2O3 and a molecular weight of 272.66 g/mol. Its IUPAC name is 3-(5-chloro-4-fluoro-2,3-dimethoxyphenyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(5-chloro-4-fluoro-2,3-dimethoxyphenyl)-1,2-oxazol-5-amine
PubChem CID117434268
Molecular FormulaC11H10ClFN2O3
Molecular Weight272.66 g/mol
Exact Mass272.04
IUPAC Name3-(5-chloro-4-fluoro-2,3-dimethoxyphenyl)-1,2-oxazol-5-amine
SMILESCOc1c(-c2cc(N)on2)cc(Cl)c(F)c1OC
InChIInChI=1S/C11H10ClFN2O3/c1-16-10-5(7-4-8(14)18-15-7)3-6(12)9(13)11(10)17-2/h3-4H,14H2,1-2H3
InChIKeyLZJAVWIXYVPALX-UHFFFAOYSA-N
XLogP2.73
TPSA70.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.66
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(5-chloro-2,3-dimethoxyphenyl)-1,2-oxazol-5-amine
CID 117389651
6-(5-amino-1,2-oxazol-3-yl)-4-chloro-2-methoxy-3-methylphenol
CID 136942355
3-(3-chloro-2-fluoro-5-methylphenyl)-1,2-oxazol-5-amine
CID 117325884
3-(3-chloro-6-fluoro-2-methoxyphenyl)-1,2-oxazol-5-amine
CID 117358433
3-(5-chloro-2-fluoro-4-methylphenyl)-1,2-oxazol-5-amine
CID 117325886
3-(5-chloro-3-fluoro-2-methoxy-6-methylphenyl)-1,2-oxazol-5-amine
CID 117394781
3-(2,3-dimethoxy-4-methylphenyl)-1,2-oxazol-5-amine
CID 117340291
3-(2,5-dimethoxy-3,4-dimethylphenyl)-1,2-oxazol-5-amine
CID 117373551
3-(3-bromo-2,4-dimethoxy-5-methylphenyl)-1,2-oxazol-5-amine
CID 117498173
5-(5-amino-1,2-oxazol-3-yl)-3-fluoro-2-methoxy-6-methylphenol
CID 117348496
3-(2-chloro-3-fluoro-4-methylphenyl)-1,2-oxazol-5-amine
CID 117325881
3-(4-chloro-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)-1,2-oxazol-5-amine
CID 117472684

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-4-fluoro-2,3-dimethoxyphenyl)-1,2-oxazol-5-amine?
The IUPAC name of 3-(5-chloro-4-fluoro-2,3-dimethoxyphenyl)-1,2-oxazol-5-amine (CID 117434268) is 3-(5-chloro-4-fluoro-2,3-dimethoxyphenyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(5-chloro-4-fluoro-2,3-dimethoxyphenyl)-1,2-oxazol-5-amine?
The canonical SMILES for 3-(5-chloro-4-fluoro-2,3-dimethoxyphenyl)-1,2-oxazol-5-amine is COc1c(-c2cc(N)on2)cc(Cl)c(F)c1OC.
What is the InChIKey of 3-(5-chloro-4-fluoro-2,3-dimethoxyphenyl)-1,2-oxazol-5-amine?
The InChIKey is LZJAVWIXYVPALX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClFN2O3/c1-16-10-5(7-4-8(14)18-15-7)3-6(12)9(13)11(10)17-2/h3-4H,14H2,1-2H3.
What are the key properties of 3-(5-chloro-4-fluoro-2,3-dimethoxyphenyl)-1,2-oxazol-5-amine?
3-(5-chloro-4-fluoro-2,3-dimethoxyphenyl)-1,2-oxazol-5-amine has a molecular weight of 272.66 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-4-fluoro-2,3-dimethoxyphenyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 117434268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).