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

C11H11ClN2O3 — CID 79556610

IUPAC4-chloro-5-(2,3-dimethoxyphenyl)-1,2-oxazol-3-amine
SMILESCOc1cccc(-c2onc(N)c2Cl)c1OC
InChIInChI=1S/C11H11ClN2O3/c1-15-7-5-3-4-6(9(7)16-2)10-8(12)11(13)14-17-10/h3-5H,1-2H3,(H2,13,14)
InChIKeyAIVMJYMAGRLNQW-UHFFFAOYSA-N
MW254.67 g/mol
LogP2.59
Rot. Bonds3

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

4-chloro-5-(2,3-dimethoxyphenyl)-1,2-oxazol-3-amine (PubChem CID 79556610) has the molecular formula C11H11ClN2O3 and a molecular weight of 254.67 g/mol. Its IUPAC name is 4-chloro-5-(2,3-dimethoxyphenyl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name4-chloro-5-(2,3-dimethoxyphenyl)-1,2-oxazol-3-amine
PubChem CID79556610
Molecular FormulaC11H11ClN2O3
Molecular Weight254.67 g/mol
Exact Mass254.05
IUPAC Name4-chloro-5-(2,3-dimethoxyphenyl)-1,2-oxazol-3-amine
SMILESCOc1cccc(-c2onc(N)c2Cl)c1OC
InChIInChI=1S/C11H11ClN2O3/c1-15-7-5-3-4-6(9(7)16-2)10-8(12)11(13)14-17-10/h3-5H,1-2H3,(H2,13,14)
InChIKeyAIVMJYMAGRLNQW-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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Related Compounds

4-chloro-5-(2-chlorophenyl)-1,2-oxazol-3-amine
CID 79555769
[5-(2,3-dichlorophenyl)-3-(2,3-dimethoxyphenyl)-1,2-oxazol-4-yl]methanol
CID 131867931
4-bromo-5-(2,6-dimethoxyphenyl)-1,2-oxazol-3-amine
CID 79555964
1,3-dichloro-2-(2,3-dimethoxyphenyl)benzene
CID 16755069
5-chloro-2-(2,3-dimethoxyphenyl)aniline
CID 82794309
6-(2,3-dimethoxyphenyl)-5-methoxypyrimidin-4-amine
CID 82794447
5-(furan-3-yl)-4-(2-methoxyphenyl)-1,2-oxazol-3-amine
CID 66199968
5-(2,3-dimethoxyphenyl)pyrimidin-4-amine
CID 174611926
[3-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride
CID 86261810
5-(4-fluorophenyl)-4-(2-methoxyphenyl)-1,2-oxazol-3-amine
CID 66198769
5-(3-fluorophenyl)-4-(2-methoxyphenyl)-1,2-oxazol-3-amine
CID 66199764
4-(2-methoxyphenyl)-5-thiophen-2-yl-1,2-oxazol-3-amine
CID 66200367

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(2,3-dimethoxyphenyl)-1,2-oxazol-3-amine?
The IUPAC name of 4-chloro-5-(2,3-dimethoxyphenyl)-1,2-oxazol-3-amine (CID 79556610) is 4-chloro-5-(2,3-dimethoxyphenyl)-1,2-oxazol-3-amine.
What is the SMILES notation for 4-chloro-5-(2,3-dimethoxyphenyl)-1,2-oxazol-3-amine?
The canonical SMILES for 4-chloro-5-(2,3-dimethoxyphenyl)-1,2-oxazol-3-amine is COc1cccc(-c2onc(N)c2Cl)c1OC.
What is the InChIKey of 4-chloro-5-(2,3-dimethoxyphenyl)-1,2-oxazol-3-amine?
The InChIKey is AIVMJYMAGRLNQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O3/c1-15-7-5-3-4-6(9(7)16-2)10-8(12)11(13)14-17-10/h3-5H,1-2H3,(H2,13,14).
What are the key properties of 4-chloro-5-(2,3-dimethoxyphenyl)-1,2-oxazol-3-amine?
4-chloro-5-(2,3-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 4-chloro-5-(2,3-dimethoxyphenyl)-1,2-oxazol-3-amine is sourced from PubChem (CID 79556610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).