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

C11H11ClN2O2 — CID 117349810

IUPAC5-(2-chloro-5-methoxy-4-methylphenyl)-1,2-oxazol-3-amine
SMILESCOc1cc(-c2cc(N)no2)c(Cl)cc1C
InChIInChI=1S/C11H11ClN2O2/c1-6-3-8(12)7(4-9(6)15-2)10-5-11(13)14-16-10/h3-5H,1-2H3,(H2,13,14)
InChIKeyDZHPUCAHCOAPQR-UHFFFAOYSA-N
MW238.67 g/mol
LogP2.89
Rot. Bonds2

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

5-(2-chloro-5-methoxy-4-methylphenyl)-1,2-oxazol-3-amine (PubChem CID 117349810) has the molecular formula C11H11ClN2O2 and a molecular weight of 238.67 g/mol. Its IUPAC name is 5-(2-chloro-5-methoxy-4-methylphenyl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(2-chloro-5-methoxy-4-methylphenyl)-1,2-oxazol-3-amine
PubChem CID117349810
Molecular FormulaC11H11ClN2O2
Molecular Weight238.67 g/mol
Exact Mass238.05
IUPAC Name5-(2-chloro-5-methoxy-4-methylphenyl)-1,2-oxazol-3-amine
SMILESCOc1cc(-c2cc(N)no2)c(Cl)cc1C
InChIInChI=1S/C11H11ClN2O2/c1-6-3-8(12)7(4-9(6)15-2)10-5-11(13)14-16-10/h3-5H,1-2H3,(H2,13,14)
InChIKeyDZHPUCAHCOAPQR-UHFFFAOYSA-N
XLogP2.89
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.67
LogP ≤ 52.89
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
5-(5-bromo-4-methoxy-2-methylphenyl)-1,2-oxazol-3-amine
CID 117454912
5-(3-chloro-6-methoxy-2-methylphenyl)-1,2-oxazol-3-amine
CID 117349806
5-(5-chloro-2,3-dimethoxy-4-methylphenyl)-1,2-oxazol-3-amine
CID 117425219
5-(4-methoxy-3-methylphenyl)-1,2-oxazol-3-amine
CID 82112667
5-(5-chloro-2-fluoro-3-methoxyphenyl)-1,2-oxazol-3-amine
CID 117358471
5-(3-chloro-2,4-dimethoxyphenyl)-1,2-oxazol-3-amine
CID 117389690
2-(3-amino-1,2-oxazol-5-yl)-5-chloro-6-methoxy-3-methylphenol
CID 136942364
5-(3-chloro-4-methoxyphenyl)-1,2-oxazol-3-amine
CID 82114977
5-(5-chloro-4-ethoxy-2-methylphenyl)-1,2-oxazol-3-amine
CID 82481596
5-(3-chloro-4-methoxy-5-methylphenyl)-1,2-oxazol-3-amine
CID 117349818
5-[4,5-dimethoxy-2-(trifluoromethyl)phenyl]-1,2-oxazol-3-amine
CID 117465476

Frequently Asked Questions

What is the IUPAC name of 5-(2-chloro-5-methoxy-4-methylphenyl)-1,2-oxazol-3-amine?
The IUPAC name of 5-(2-chloro-5-methoxy-4-methylphenyl)-1,2-oxazol-3-amine (CID 117349810) is 5-(2-chloro-5-methoxy-4-methylphenyl)-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(2-chloro-5-methoxy-4-methylphenyl)-1,2-oxazol-3-amine?
The canonical SMILES for 5-(2-chloro-5-methoxy-4-methylphenyl)-1,2-oxazol-3-amine is COc1cc(-c2cc(N)no2)c(Cl)cc1C.
What is the InChIKey of 5-(2-chloro-5-methoxy-4-methylphenyl)-1,2-oxazol-3-amine?
The InChIKey is DZHPUCAHCOAPQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O2/c1-6-3-8(12)7(4-9(6)15-2)10-5-11(13)14-16-10/h3-5H,1-2H3,(H2,13,14).
What are the key properties of 5-(2-chloro-5-methoxy-4-methylphenyl)-1,2-oxazol-3-amine?
5-(2-chloro-5-methoxy-4-methylphenyl)-1,2-oxazol-3-amine has a molecular weight of 238.67 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloro-5-methoxy-4-methylphenyl)-1,2-oxazol-3-amine is sourced from PubChem (CID 117349810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).