4-(5-amino-1,2-oxazol-3-yl)-3-chloro-2-methoxy-5-methylphenol

C11H11ClN2O3 — CID 136942354

IUPAC4-(5-amino-1,2-oxazol-3-yl)-3-chloro-2-methoxy-5-methylphenol
SMILESCOc1c(O)cc(C)c(-c2cc(N)on2)c1Cl
InChIInChI=1S/C11H11ClN2O3/c1-5-3-7(15)11(16-2)10(12)9(5)6-4-8(13)17-14-6/h3-4,15H,13H2,1-2H3
InChIKeyUAZXIFPWNMDLRR-UHFFFAOYSA-N
MW254.67 g/mol
LogP2.60
Rot. Bonds2

About 4-(5-amino-1,2-oxazol-3-yl)-3-chloro-2-methoxy-5-methylphenol

4-(5-amino-1,2-oxazol-3-yl)-3-chloro-2-methoxy-5-methylphenol (PubChem CID 136942354) has the molecular formula C11H11ClN2O3 and a molecular weight of 254.67 g/mol. Its IUPAC name is 4-(5-amino-1,2-oxazol-3-yl)-3-chloro-2-methoxy-5-methylphenol.

Molecular Properties

Compound Name4-(5-amino-1,2-oxazol-3-yl)-3-chloro-2-methoxy-5-methylphenol
PubChem CID136942354
Molecular FormulaC11H11ClN2O3
Molecular Weight254.67 g/mol
Exact Mass254.05
IUPAC Name4-(5-amino-1,2-oxazol-3-yl)-3-chloro-2-methoxy-5-methylphenol
SMILESCOc1c(O)cc(C)c(-c2cc(N)on2)c1Cl
InChIInChI=1S/C11H11ClN2O3/c1-5-3-7(15)11(16-2)10(12)9(5)6-4-8(13)17-14-6/h3-4,15H,13H2,1-2H3
InChIKeyUAZXIFPWNMDLRR-UHFFFAOYSA-N
XLogP2.60
TPSA81.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.67
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-methoxy-3,4,6-trimethylphenyl)-1,2-oxazol-5-amine
CID 115112351
4-(5-amino-1,2-oxazol-3-yl)-2-bromo-3,5-dimethylphenol
CID 136931065
3-(3-chloro-6-fluoro-2-methoxyphenyl)-1,2-oxazol-5-amine
CID 117358433
2-(5-amino-1,2-oxazol-3-yl)-4-methoxy-5-methylphenol
CID 136993797
3-(2,6-dimethoxy-3-methylphenyl)-1,2-oxazol-5-amine
CID 117340342
3-(5-chloro-3-fluoro-2-methoxy-6-methylphenyl)-1,2-oxazol-5-amine
CID 117394781
6-(5-amino-1,2-oxazol-3-yl)-4-chloro-2-methoxy-3-methylphenol
CID 136942355
4-(5-amino-1-methylpyrazol-4-yl)-3-chloro-2-methoxy-5-methylphenol
CID 117422676
3-(5-chloro-2,3-dimethoxyphenyl)-1,2-oxazol-5-amine
CID 117389651
2-(5-amino-1,2-oxazol-3-yl)-5-methylbenzene-1,4-diol
CID 136998676
3-(3-bromo-2,4-dimethoxy-5-methylphenyl)-1,2-oxazol-5-amine
CID 117498173
3-(2,3-dimethoxy-4-methylphenyl)-1,2-oxazol-5-amine
CID 117340291

Frequently Asked Questions

What is the IUPAC name of 4-(5-amino-1,2-oxazol-3-yl)-3-chloro-2-methoxy-5-methylphenol?
The IUPAC name of 4-(5-amino-1,2-oxazol-3-yl)-3-chloro-2-methoxy-5-methylphenol (CID 136942354) is 4-(5-amino-1,2-oxazol-3-yl)-3-chloro-2-methoxy-5-methylphenol.
What is the SMILES notation for 4-(5-amino-1,2-oxazol-3-yl)-3-chloro-2-methoxy-5-methylphenol?
The canonical SMILES for 4-(5-amino-1,2-oxazol-3-yl)-3-chloro-2-methoxy-5-methylphenol is COc1c(O)cc(C)c(-c2cc(N)on2)c1Cl.
What is the InChIKey of 4-(5-amino-1,2-oxazol-3-yl)-3-chloro-2-methoxy-5-methylphenol?
The InChIKey is UAZXIFPWNMDLRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O3/c1-5-3-7(15)11(16-2)10(12)9(5)6-4-8(13)17-14-6/h3-4,15H,13H2,1-2H3.
What are the key properties of 4-(5-amino-1,2-oxazol-3-yl)-3-chloro-2-methoxy-5-methylphenol?
4-(5-amino-1,2-oxazol-3-yl)-3-chloro-2-methoxy-5-methylphenol has a molecular weight of 254.67 g/mol, XLogP of 2.60, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-amino-1,2-oxazol-3-yl)-3-chloro-2-methoxy-5-methylphenol is sourced from PubChem (CID 136942354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).