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

C13H15ClN2O3 — CID 117454226

IUPAC3-(3-chloro-2-ethyl-4,5-dimethoxyphenyl)-1,2-oxazol-5-amine
SMILESCCc1c(-c2cc(N)on2)cc(OC)c(OC)c1Cl
InChIInChI=1S/C13H15ClN2O3/c1-4-7-8(9-6-11(15)19-16-9)5-10(17-2)13(18-3)12(7)14/h5-6H,4,15H2,1-3H3
InChIKeyBOTJHFJUOQEMMZ-UHFFFAOYSA-N
MW282.73 g/mol
LogP3.16
Rot. Bonds4

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

3-(3-chloro-2-ethyl-4,5-dimethoxyphenyl)-1,2-oxazol-5-amine (PubChem CID 117454226) has the molecular formula C13H15ClN2O3 and a molecular weight of 282.73 g/mol. Its IUPAC name is 3-(3-chloro-2-ethyl-4,5-dimethoxyphenyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(3-chloro-2-ethyl-4,5-dimethoxyphenyl)-1,2-oxazol-5-amine
PubChem CID117454226
Molecular FormulaC13H15ClN2O3
Molecular Weight282.73 g/mol
Exact Mass282.08
IUPAC Name3-(3-chloro-2-ethyl-4,5-dimethoxyphenyl)-1,2-oxazol-5-amine
SMILESCCc1c(-c2cc(N)on2)cc(OC)c(OC)c1Cl
InChIInChI=1S/C13H15ClN2O3/c1-4-7-8(9-6-11(15)19-16-9)5-10(17-2)13(18-3)12(7)14/h5-6H,4,15H2,1-3H3
InChIKeyBOTJHFJUOQEMMZ-UHFFFAOYSA-N
XLogP3.16
TPSA70.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.73
LogP ≤ 53.16
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
3-(2,5-dimethoxy-3,4-dimethylphenyl)-1,2-oxazol-5-amine
CID 117373551
3-(3-bromo-2,5-dimethoxy-4-methylphenyl)-1,2-oxazol-5-amine
CID 117498171
3-(4-bromo-2,5-dimethoxyphenyl)-1,2-oxazol-5-amine
CID 3407261
3-(4-ethyl-5-methoxy-2-methylsulfanylphenyl)-1,2-oxazol-5-amine
CID 117415535
3-[2,5-dimethoxy-4-(methoxymethyl)phenyl]-1,2-oxazol-5-amine
CID 117414909
3-(5-chloro-4-fluoro-2,3-dimethoxyphenyl)-1,2-oxazol-5-amine
CID 117434268
3-(4-chloro-3-fluoro-5-methoxyphenyl)-1,2-oxazol-5-amine
CID 117358441
3-(5-amino-1,2-oxazol-3-yl)-4,5-dimethoxybenzoic acid
CID 117414574
3-(4,5-dimethoxy-2-methylsulfanylphenyl)-1,2-oxazol-5-amine
CID 117419909
3-(9-chloro-6-ethyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1,2-oxazol-5-amine
CID 117475313
2-(5-amino-1,2-oxazol-3-yl)-4-methoxy-5-methylphenol
CID 136993797

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-2-ethyl-4,5-dimethoxyphenyl)-1,2-oxazol-5-amine?
The IUPAC name of 3-(3-chloro-2-ethyl-4,5-dimethoxyphenyl)-1,2-oxazol-5-amine (CID 117454226) is 3-(3-chloro-2-ethyl-4,5-dimethoxyphenyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(3-chloro-2-ethyl-4,5-dimethoxyphenyl)-1,2-oxazol-5-amine?
The canonical SMILES for 3-(3-chloro-2-ethyl-4,5-dimethoxyphenyl)-1,2-oxazol-5-amine is CCc1c(-c2cc(N)on2)cc(OC)c(OC)c1Cl.
What is the InChIKey of 3-(3-chloro-2-ethyl-4,5-dimethoxyphenyl)-1,2-oxazol-5-amine?
The InChIKey is BOTJHFJUOQEMMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O3/c1-4-7-8(9-6-11(15)19-16-9)5-10(17-2)13(18-3)12(7)14/h5-6H,4,15H2,1-3H3.
What are the key properties of 3-(3-chloro-2-ethyl-4,5-dimethoxyphenyl)-1,2-oxazol-5-amine?
3-(3-chloro-2-ethyl-4,5-dimethoxyphenyl)-1,2-oxazol-5-amine has a molecular weight of 282.73 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-2-ethyl-4,5-dimethoxyphenyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 117454226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).