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

C11H11ClN2O2 — CID 117349818

IUPAC5-(3-chloro-4-methoxy-5-methylphenyl)-1,2-oxazol-3-amine
SMILESCOc1c(C)cc(-c2cc(N)no2)cc1Cl
InChIInChI=1S/C11H11ClN2O2/c1-6-3-7(4-8(12)11(6)15-2)9-5-10(13)14-16-9/h3-5H,1-2H3,(H2,13,14)
InChIKeyLIGANPDFBJAPLA-UHFFFAOYSA-N
MW238.67 g/mol
LogP2.89
Rot. Bonds2

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

5-(3-chloro-4-methoxy-5-methylphenyl)-1,2-oxazol-3-amine (PubChem CID 117349818) has the molecular formula C11H11ClN2O2 and a molecular weight of 238.67 g/mol. Its IUPAC name is 5-(3-chloro-4-methoxy-5-methylphenyl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(3-chloro-4-methoxy-5-methylphenyl)-1,2-oxazol-3-amine
PubChem CID117349818
Molecular FormulaC11H11ClN2O2
Molecular Weight238.67 g/mol
Exact Mass238.05
IUPAC Name5-(3-chloro-4-methoxy-5-methylphenyl)-1,2-oxazol-3-amine
SMILESCOc1c(C)cc(-c2cc(N)no2)cc1Cl
InChIInChI=1S/C11H11ClN2O2/c1-6-3-7(4-8(12)11(6)15-2)9-5-10(13)14-16-9/h3-5H,1-2H3,(H2,13,14)
InChIKeyLIGANPDFBJAPLA-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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Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-4-methoxy-5-methylphenyl)-1,2-oxazol-3-amine?
The IUPAC name of 5-(3-chloro-4-methoxy-5-methylphenyl)-1,2-oxazol-3-amine (CID 117349818) is 5-(3-chloro-4-methoxy-5-methylphenyl)-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(3-chloro-4-methoxy-5-methylphenyl)-1,2-oxazol-3-amine?
The canonical SMILES for 5-(3-chloro-4-methoxy-5-methylphenyl)-1,2-oxazol-3-amine is COc1c(C)cc(-c2cc(N)no2)cc1Cl.
What is the InChIKey of 5-(3-chloro-4-methoxy-5-methylphenyl)-1,2-oxazol-3-amine?
The InChIKey is LIGANPDFBJAPLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O2/c1-6-3-7(4-8(12)11(6)15-2)9-5-10(13)14-16-9/h3-5H,1-2H3,(H2,13,14).
What are the key properties of 5-(3-chloro-4-methoxy-5-methylphenyl)-1,2-oxazol-3-amine?
5-(3-chloro-4-methoxy-5-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-(3-chloro-4-methoxy-5-methylphenyl)-1,2-oxazol-3-amine is sourced from PubChem (CID 117349818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).