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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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).