5-(5-chloro-3-methoxy-2-propan-2-yloxyphenyl)-1,2-oxazol-3-amine

C13H15ClN2O3 — CID 117454242

IUPAC5-(5-chloro-3-methoxy-2-propan-2-yloxyphenyl)-1,2-oxazol-3-amine
SMILESCOc1cc(Cl)cc(-c2cc(N)no2)c1OC(C)C
InChIInChI=1S/C13H15ClN2O3/c1-7(2)18-13-9(10-6-12(15)16-19-10)4-8(14)5-11(13)17-3/h4-7H,1-3H3,(H2,15,16)
InChIKeyHZIODZMOBRCQEC-UHFFFAOYSA-N
MW282.73 g/mol
LogP3.37
Rot. Bonds4

About 5-(5-chloro-3-methoxy-2-propan-2-yloxyphenyl)-1,2-oxazol-3-amine

5-(5-chloro-3-methoxy-2-propan-2-yloxyphenyl)-1,2-oxazol-3-amine (PubChem CID 117454242) has the molecular formula C13H15ClN2O3 and a molecular weight of 282.73 g/mol. Its IUPAC name is 5-(5-chloro-3-methoxy-2-propan-2-yloxyphenyl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(5-chloro-3-methoxy-2-propan-2-yloxyphenyl)-1,2-oxazol-3-amine
PubChem CID117454242
Molecular FormulaC13H15ClN2O3
Molecular Weight282.73 g/mol
Exact Mass282.08
IUPAC Name5-(5-chloro-3-methoxy-2-propan-2-yloxyphenyl)-1,2-oxazol-3-amine
SMILESCOc1cc(Cl)cc(-c2cc(N)no2)c1OC(C)C
InChIInChI=1S/C13H15ClN2O3/c1-7(2)18-13-9(10-6-12(15)16-19-10)4-8(14)5-11(13)17-3/h4-7H,1-3H3,(H2,15,16)
InChIKeyHZIODZMOBRCQEC-UHFFFAOYSA-N
XLogP3.37
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 ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(3-methoxy-2-propan-2-yloxyphenyl)-1,2-oxazol-3-amine
CID 117373531
5-(5-chloro-2-fluoro-3-methoxyphenyl)-1,2-oxazol-3-amine
CID 117358471
5-(2,5-dimethoxy-4-propan-2-yloxyphenyl)-1,2-oxazol-3-amine
CID 117446006
5-(5-chloro-3-ethyl-2-methoxyphenyl)-1,2-oxazol-3-amine
CID 117384774
5-(3-chloro-2,4-dimethoxyphenyl)-1,2-oxazol-3-amine
CID 117389690
5-[2,3-dimethoxy-5-(methoxymethyl)phenyl]-1,2-oxazol-3-amine
CID 117414884
5-(2-chloro-5-methoxy-4-methylphenyl)-1,2-oxazol-3-amine
CID 117349810
2-(3-amino-1,2-oxazol-5-yl)-4-chloro-6-propan-2-ylphenol
CID 136942237
5-(5-chloro-2,3-dimethoxy-4-methylphenyl)-1,2-oxazol-3-amine
CID 117425219
(5-chloro-3-methoxy-2-propan-2-yloxyphenyl)methylidenehydrazine
CID 168530261
3-(5-chloro-2,3-dimethoxyphenyl)-1,2-oxazol-5-amine
CID 117389651
5-(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-1,2-oxazol-3-amine
CID 117373049

Frequently Asked Questions

What is the IUPAC name of 5-(5-chloro-3-methoxy-2-propan-2-yloxyphenyl)-1,2-oxazol-3-amine?
The IUPAC name of 5-(5-chloro-3-methoxy-2-propan-2-yloxyphenyl)-1,2-oxazol-3-amine (CID 117454242) is 5-(5-chloro-3-methoxy-2-propan-2-yloxyphenyl)-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(5-chloro-3-methoxy-2-propan-2-yloxyphenyl)-1,2-oxazol-3-amine?
The canonical SMILES for 5-(5-chloro-3-methoxy-2-propan-2-yloxyphenyl)-1,2-oxazol-3-amine is COc1cc(Cl)cc(-c2cc(N)no2)c1OC(C)C.
What is the InChIKey of 5-(5-chloro-3-methoxy-2-propan-2-yloxyphenyl)-1,2-oxazol-3-amine?
The InChIKey is HZIODZMOBRCQEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O3/c1-7(2)18-13-9(10-6-12(15)16-19-10)4-8(14)5-11(13)17-3/h4-7H,1-3H3,(H2,15,16).
What are the key properties of 5-(5-chloro-3-methoxy-2-propan-2-yloxyphenyl)-1,2-oxazol-3-amine?
5-(5-chloro-3-methoxy-2-propan-2-yloxyphenyl)-1,2-oxazol-3-amine has a molecular weight of 282.73 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chloro-3-methoxy-2-propan-2-yloxyphenyl)-1,2-oxazol-3-amine is sourced from PubChem (CID 117454242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).