2-(3-amino-1,2-oxazol-5-yl)-5-chloro-6-methoxy-3-methylphenol

C11H11ClN2O3 — CID 136942364

IUPAC2-(3-amino-1,2-oxazol-5-yl)-5-chloro-6-methoxy-3-methylphenol
SMILESCOc1c(Cl)cc(C)c(-c2cc(N)no2)c1O
InChIInChI=1S/C11H11ClN2O3/c1-5-3-6(12)11(16-2)10(15)9(5)7-4-8(13)14-17-7/h3-4,15H,1-2H3,(H2,13,14)
InChIKeyBBBFOUBEOWBPJC-UHFFFAOYSA-N
MW254.67 g/mol
LogP2.60
Rot. Bonds2

About 2-(3-amino-1,2-oxazol-5-yl)-5-chloro-6-methoxy-3-methylphenol

2-(3-amino-1,2-oxazol-5-yl)-5-chloro-6-methoxy-3-methylphenol (PubChem CID 136942364) has the molecular formula C11H11ClN2O3 and a molecular weight of 254.67 g/mol. Its IUPAC name is 2-(3-amino-1,2-oxazol-5-yl)-5-chloro-6-methoxy-3-methylphenol.

Molecular Properties

Compound Name2-(3-amino-1,2-oxazol-5-yl)-5-chloro-6-methoxy-3-methylphenol
PubChem CID136942364
Molecular FormulaC11H11ClN2O3
Molecular Weight254.67 g/mol
Exact Mass254.05
IUPAC Name2-(3-amino-1,2-oxazol-5-yl)-5-chloro-6-methoxy-3-methylphenol
SMILESCOc1c(Cl)cc(C)c(-c2cc(N)no2)c1O
InChIInChI=1S/C11H11ClN2O3/c1-5-3-6(12)11(16-2)10(15)9(5)7-4-8(13)14-17-7/h3-4,15H,1-2H3,(H2,13,14)
InChIKeyBBBFOUBEOWBPJC-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

5-(3-chloro-4-methoxy-5-methylphenyl)-1,2-oxazol-3-amine
CID 117349818
5-(2,3-dimethoxy-4,6-dimethylphenyl)-1,2-oxazol-3-amine
CID 117373527
2-(3-amino-1,2-oxazol-5-yl)-6-methoxy-3-methylphenol
CID 136993784
2-(3-amino-1H-pyrazol-5-yl)-5-chloro-6-methoxy-3-methylphenol
CID 136942315
5-(2-chloro-5-methoxy-4-methylphenyl)-1,2-oxazol-3-amine
CID 117349810
5-(5-chloro-2,3-dimethoxy-4-methylphenyl)-1,2-oxazol-3-amine
CID 117425219
5-(3-chloro-6-methoxy-2-methylphenyl)-1,2-oxazol-3-amine
CID 117349806
2-(3-amino-1,2-oxazol-5-yl)-4-methoxy-6-methylphenol
CID 136993780
5-(3,5-difluoro-2,6-dimethoxyphenyl)-1,2-oxazol-3-amine
CID 117393405
2-(3-amino-1,2-oxazol-5-yl)-3-fluoro-6-methoxyphenol
CID 136968457
5-(2-methoxy-3-methylphenyl)-1,2-oxazol-3-amine
CID 117292510
2-(3-amino-1,2-oxazol-5-yl)-3-fluoro-6-methylphenol
CID 136998720

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-1,2-oxazol-5-yl)-5-chloro-6-methoxy-3-methylphenol?
The IUPAC name of 2-(3-amino-1,2-oxazol-5-yl)-5-chloro-6-methoxy-3-methylphenol (CID 136942364) is 2-(3-amino-1,2-oxazol-5-yl)-5-chloro-6-methoxy-3-methylphenol.
What is the SMILES notation for 2-(3-amino-1,2-oxazol-5-yl)-5-chloro-6-methoxy-3-methylphenol?
The canonical SMILES for 2-(3-amino-1,2-oxazol-5-yl)-5-chloro-6-methoxy-3-methylphenol is COc1c(Cl)cc(C)c(-c2cc(N)no2)c1O.
What is the InChIKey of 2-(3-amino-1,2-oxazol-5-yl)-5-chloro-6-methoxy-3-methylphenol?
The InChIKey is BBBFOUBEOWBPJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O3/c1-5-3-6(12)11(16-2)10(15)9(5)7-4-8(13)14-17-7/h3-4,15H,1-2H3,(H2,13,14).
What are the key properties of 2-(3-amino-1,2-oxazol-5-yl)-5-chloro-6-methoxy-3-methylphenol?
2-(3-amino-1,2-oxazol-5-yl)-5-chloro-6-methoxy-3-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 2-(3-amino-1,2-oxazol-5-yl)-5-chloro-6-methoxy-3-methylphenol is sourced from PubChem (CID 136942364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).