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

C11H11ClN2O3 — CID 117389690

IUPAC5-(3-chloro-2,4-dimethoxyphenyl)-1,2-oxazol-3-amine
SMILESCOc1ccc(-c2cc(N)no2)c(OC)c1Cl
InChIInChI=1S/C11H11ClN2O3/c1-15-7-4-3-6(11(16-2)10(7)12)8-5-9(13)14-17-8/h3-5H,1-2H3,(H2,13,14)
InChIKeyCARUIEHXYRXXRI-UHFFFAOYSA-N
MW254.67 g/mol
LogP2.59
Rot. Bonds3

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

5-(3-chloro-2,4-dimethoxyphenyl)-1,2-oxazol-3-amine (PubChem CID 117389690) has the molecular formula C11H11ClN2O3 and a molecular weight of 254.67 g/mol. Its IUPAC name is 5-(3-chloro-2,4-dimethoxyphenyl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(3-chloro-2,4-dimethoxyphenyl)-1,2-oxazol-3-amine
PubChem CID117389690
Molecular FormulaC11H11ClN2O3
Molecular Weight254.67 g/mol
Exact Mass254.05
IUPAC Name5-(3-chloro-2,4-dimethoxyphenyl)-1,2-oxazol-3-amine
SMILESCOc1ccc(-c2cc(N)no2)c(OC)c1Cl
InChIInChI=1S/C11H11ClN2O3/c1-15-7-4-3-6(11(16-2)10(7)12)8-5-9(13)14-17-8/h3-5H,1-2H3,(H2,13,14)
InChIKeyCARUIEHXYRXXRI-UHFFFAOYSA-N
XLogP2.59
TPSA70.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.67
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-2,4-dimethoxyphenyl)-1,2-oxazol-3-amine?
The IUPAC name of 5-(3-chloro-2,4-dimethoxyphenyl)-1,2-oxazol-3-amine (CID 117389690) is 5-(3-chloro-2,4-dimethoxyphenyl)-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(3-chloro-2,4-dimethoxyphenyl)-1,2-oxazol-3-amine?
The canonical SMILES for 5-(3-chloro-2,4-dimethoxyphenyl)-1,2-oxazol-3-amine is COc1ccc(-c2cc(N)no2)c(OC)c1Cl.
What is the InChIKey of 5-(3-chloro-2,4-dimethoxyphenyl)-1,2-oxazol-3-amine?
The InChIKey is CARUIEHXYRXXRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O3/c1-15-7-4-3-6(11(16-2)10(7)12)8-5-9(13)14-17-8/h3-5H,1-2H3,(H2,13,14).
What are the key properties of 5-(3-chloro-2,4-dimethoxyphenyl)-1,2-oxazol-3-amine?
5-(3-chloro-2,4-dimethoxyphenyl)-1,2-oxazol-3-amine has a molecular weight of 254.67 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-2,4-dimethoxyphenyl)-1,2-oxazol-3-amine is sourced from PubChem (CID 117389690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).