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

C11H11ClN2O3 — CID 117389651

IUPAC3-(5-chloro-2,3-dimethoxyphenyl)-1,2-oxazol-5-amine
SMILESCOc1cc(Cl)cc(-c2cc(N)on2)c1OC
InChIInChI=1S/C11H11ClN2O3/c1-15-9-4-6(12)3-7(11(9)16-2)8-5-10(13)17-14-8/h3-5H,13H2,1-2H3
InChIKeyGLTNVGCLFDTMHC-UHFFFAOYSA-N
MW254.67 g/mol
LogP2.59
Rot. Bonds3

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

3-(5-chloro-2,3-dimethoxyphenyl)-1,2-oxazol-5-amine (PubChem CID 117389651) has the molecular formula C11H11ClN2O3 and a molecular weight of 254.67 g/mol. Its IUPAC name is 3-(5-chloro-2,3-dimethoxyphenyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(5-chloro-2,3-dimethoxyphenyl)-1,2-oxazol-5-amine
PubChem CID117389651
Molecular FormulaC11H11ClN2O3
Molecular Weight254.67 g/mol
Exact Mass254.05
IUPAC Name3-(5-chloro-2,3-dimethoxyphenyl)-1,2-oxazol-5-amine
SMILESCOc1cc(Cl)cc(-c2cc(N)on2)c1OC
InChIInChI=1S/C11H11ClN2O3/c1-15-9-4-6(12)3-7(11(9)16-2)8-5-10(13)17-14-8/h3-5H,13H2,1-2H3
InChIKeyGLTNVGCLFDTMHC-UHFFFAOYSA-N
XLogP2.59
TPSA70.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.67
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2,5-dimethoxy-3,4-dimethylphenyl)-1,2-oxazol-5-amine
CID 117373551
3-(5-amino-1,2-oxazol-3-yl)-4,5-dimethoxybenzoic acid
CID 117414574
3-(3-chloro-2-ethyl-4,5-dimethoxyphenyl)-1,2-oxazol-5-amine
CID 117454226
3-(5-chloro-4-fluoro-2,3-dimethoxyphenyl)-1,2-oxazol-5-amine
CID 117434268
3-(3-bromo-2,5-dimethoxy-4-methylphenyl)-1,2-oxazol-5-amine
CID 117498171
3-(2,6-dimethoxy-3-methylphenyl)-1,2-oxazol-5-amine
CID 117340342
3-(2,3-dimethoxy-4-methylphenyl)-1,2-oxazol-5-amine
CID 117340291
3-(3-bromo-2,4-dimethoxy-5-methylphenyl)-1,2-oxazol-5-amine
CID 117498173
3-(4-bromo-2,5-dimethoxyphenyl)-1,2-oxazol-5-amine
CID 3407261
3-(3-chloro-6-fluoro-2-methoxyphenyl)-1,2-oxazol-5-amine
CID 117358433
3-[2,5-dimethoxy-4-(methoxymethyl)phenyl]-1,2-oxazol-5-amine
CID 117414909
3-[5-(fluoromethyl)-2,4-dimethoxyphenyl]-1,2-oxazol-5-amine
CID 117383350

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2,3-dimethoxyphenyl)-1,2-oxazol-5-amine?
The IUPAC name of 3-(5-chloro-2,3-dimethoxyphenyl)-1,2-oxazol-5-amine (CID 117389651) is 3-(5-chloro-2,3-dimethoxyphenyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(5-chloro-2,3-dimethoxyphenyl)-1,2-oxazol-5-amine?
The canonical SMILES for 3-(5-chloro-2,3-dimethoxyphenyl)-1,2-oxazol-5-amine is COc1cc(Cl)cc(-c2cc(N)on2)c1OC.
What is the InChIKey of 3-(5-chloro-2,3-dimethoxyphenyl)-1,2-oxazol-5-amine?
The InChIKey is GLTNVGCLFDTMHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O3/c1-15-9-4-6(12)3-7(11(9)16-2)8-5-10(13)17-14-8/h3-5H,13H2,1-2H3.
What are the key properties of 3-(5-chloro-2,3-dimethoxyphenyl)-1,2-oxazol-5-amine?
3-(5-chloro-2,3-dimethoxyphenyl)-1,2-oxazol-5-amine has a molecular weight of 254.67 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2,3-dimethoxyphenyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 117389651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).