5-(5-chloro-4-ethoxy-2-methylphenyl)-1,2-oxazol-3-amine

C12H13ClN2O2 — CID 82481596

IUPAC5-(5-chloro-4-ethoxy-2-methylphenyl)-1,2-oxazol-3-amine
SMILESCCOc1cc(C)c(-c2cc(N)no2)cc1Cl
InChIInChI=1S/C12H13ClN2O2/c1-3-16-11-4-7(2)8(5-9(11)13)10-6-12(14)15-17-10/h4-6H,3H2,1-2H3,(H2,14,15)
InChIKeyZWYVGXLFMAOFIF-UHFFFAOYSA-N
MW252.70 g/mol
LogP3.28
Rot. Bonds3

About 5-(5-chloro-4-ethoxy-2-methylphenyl)-1,2-oxazol-3-amine

5-(5-chloro-4-ethoxy-2-methylphenyl)-1,2-oxazol-3-amine (PubChem CID 82481596) has the molecular formula C12H13ClN2O2 and a molecular weight of 252.70 g/mol. Its IUPAC name is 5-(5-chloro-4-ethoxy-2-methylphenyl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(5-chloro-4-ethoxy-2-methylphenyl)-1,2-oxazol-3-amine
PubChem CID82481596
Molecular FormulaC12H13ClN2O2
Molecular Weight252.70 g/mol
Exact Mass252.07
IUPAC Name5-(5-chloro-4-ethoxy-2-methylphenyl)-1,2-oxazol-3-amine
SMILESCCOc1cc(C)c(-c2cc(N)no2)cc1Cl
InChIInChI=1S/C12H13ClN2O2/c1-3-16-11-4-7(2)8(5-9(11)13)10-6-12(14)15-17-10/h4-6H,3H2,1-2H3,(H2,14,15)
InChIKeyZWYVGXLFMAOFIF-UHFFFAOYSA-N
XLogP3.28
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.70
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(5-ethoxy-2-methoxy-4-methylphenyl)-1,2-oxazol-3-amine
CID 117373528
2-(5-chloro-4-ethoxy-2-methylphenyl)pyrimidin-5-amine
CID 82303511
5-(2-chloro-5-methoxy-4-methylphenyl)-1,2-oxazol-3-amine
CID 117349810
4-(5-chloro-4-ethoxy-2-methylphenyl)-6-methyl-1,3,5-triazin-2-amine
CID 98022071
3-(5-chloro-4-ethoxy-2-methylphenyl)-5-methyl-1H-pyrazol-4-amine
CID 82486859
5-(5-bromo-4-methoxy-2-methylphenyl)-1,2-oxazol-3-amine
CID 117454912
[5-(5-chloro-4-ethoxy-2-methylphenyl)-1,3,4-oxadiazol-2-yl]methanamine
CID 82487457
1,4-dichloro-2-ethoxy-5-methylbenzene
CID 18335146
[5-(5-chloro-4-ethoxy-2-methylphenyl)-1H-imidazol-2-yl]methanamine
CID 82304282
5-(4-ethoxyphenyl)-1,2-oxazol-3-amine
CID 27242742
5-chloro-4-ethoxy-2-methylphenol
CID 82490779
5-(3-chloro-4-methoxyphenyl)-1,2-oxazol-3-amine
CID 82114977

Frequently Asked Questions

What is the IUPAC name of 5-(5-chloro-4-ethoxy-2-methylphenyl)-1,2-oxazol-3-amine?
The IUPAC name of 5-(5-chloro-4-ethoxy-2-methylphenyl)-1,2-oxazol-3-amine (CID 82481596) is 5-(5-chloro-4-ethoxy-2-methylphenyl)-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(5-chloro-4-ethoxy-2-methylphenyl)-1,2-oxazol-3-amine?
The canonical SMILES for 5-(5-chloro-4-ethoxy-2-methylphenyl)-1,2-oxazol-3-amine is CCOc1cc(C)c(-c2cc(N)no2)cc1Cl.
What is the InChIKey of 5-(5-chloro-4-ethoxy-2-methylphenyl)-1,2-oxazol-3-amine?
The InChIKey is ZWYVGXLFMAOFIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O2/c1-3-16-11-4-7(2)8(5-9(11)13)10-6-12(14)15-17-10/h4-6H,3H2,1-2H3,(H2,14,15).
What are the key properties of 5-(5-chloro-4-ethoxy-2-methylphenyl)-1,2-oxazol-3-amine?
5-(5-chloro-4-ethoxy-2-methylphenyl)-1,2-oxazol-3-amine has a molecular weight of 252.70 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chloro-4-ethoxy-2-methylphenyl)-1,2-oxazol-3-amine is sourced from PubChem (CID 82481596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).