2-(3-amino-1,2-oxazol-5-yl)-4-methoxy-6-methylphenol

C11H12N2O3 — CID 136993780

IUPAC2-(3-amino-1,2-oxazol-5-yl)-4-methoxy-6-methylphenol
SMILESCOc1cc(C)c(O)c(-c2cc(N)no2)c1
InChIInChI=1S/C11H12N2O3/c1-6-3-7(15-2)4-8(11(6)14)9-5-10(12)13-16-9/h3-5,14H,1-2H3,(H2,12,13)
InChIKeyKJTMBVPUGVZDEW-UHFFFAOYSA-N
MW220.23 g/mol
LogP1.95
Rot. Bonds2

About 2-(3-amino-1,2-oxazol-5-yl)-4-methoxy-6-methylphenol

2-(3-amino-1,2-oxazol-5-yl)-4-methoxy-6-methylphenol (PubChem CID 136993780) has the molecular formula C11H12N2O3 and a molecular weight of 220.23 g/mol. Its IUPAC name is 2-(3-amino-1,2-oxazol-5-yl)-4-methoxy-6-methylphenol.

Molecular Properties

Compound Name2-(3-amino-1,2-oxazol-5-yl)-4-methoxy-6-methylphenol
PubChem CID136993780
Molecular FormulaC11H12N2O3
Molecular Weight220.23 g/mol
Exact Mass220.08
IUPAC Name2-(3-amino-1,2-oxazol-5-yl)-4-methoxy-6-methylphenol
SMILESCOc1cc(C)c(O)c(-c2cc(N)no2)c1
InChIInChI=1S/C11H12N2O3/c1-6-3-7(15-2)4-8(11(6)14)9-5-10(12)13-16-9/h3-5,14H,1-2H3,(H2,12,13)
InChIKeyKJTMBVPUGVZDEW-UHFFFAOYSA-N
XLogP1.95
TPSA81.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-hydroxy-5-methoxy-3-methylphenyl)-4-methoxy-6-methylphenol
CID 59106217
5-(5-methoxy-1,7-dimethylindol-3-yl)-1,2-oxazol-3-amine
CID 84742378
5-(3-chloro-2-fluoro-5-methoxyphenyl)-1,2-oxazol-3-amine
CID 117358478
5-(2-fluoro-5-methoxyphenyl)-1,2-oxazol-3-amine
CID 117297135
2-(3-amino-1,2-oxazol-5-yl)-6-methoxy-3-methylphenol
CID 136993784
5-(5-bromo-4-methoxy-2-methylphenyl)-1,2-oxazol-3-amine
CID 117454912
2-(3-amino-1,2-oxazol-5-yl)-5-chloro-6-methoxy-3-methylphenol
CID 136942364
5-(2-methoxy-3-methylphenyl)-1,2-oxazol-3-amine
CID 117292510
3-(3-amino-1,2-oxazol-5-yl)-2-fluoro-6-methoxyphenol
CID 117321250
5-(2-chloro-5-methoxy-4-methylphenyl)-1,2-oxazol-3-amine
CID 117349810
3-(3-amino-1,2-oxazol-5-yl)-4-bromo-2,6-dimethylphenol
CID 117454901
2-(3-amino-1,2-oxazol-5-yl)-3-fluoro-6-methoxyphenol
CID 136968457

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-1,2-oxazol-5-yl)-4-methoxy-6-methylphenol?
The IUPAC name of 2-(3-amino-1,2-oxazol-5-yl)-4-methoxy-6-methylphenol (CID 136993780) is 2-(3-amino-1,2-oxazol-5-yl)-4-methoxy-6-methylphenol.
What is the SMILES notation for 2-(3-amino-1,2-oxazol-5-yl)-4-methoxy-6-methylphenol?
The canonical SMILES for 2-(3-amino-1,2-oxazol-5-yl)-4-methoxy-6-methylphenol is COc1cc(C)c(O)c(-c2cc(N)no2)c1.
What is the InChIKey of 2-(3-amino-1,2-oxazol-5-yl)-4-methoxy-6-methylphenol?
The InChIKey is KJTMBVPUGVZDEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3/c1-6-3-7(15-2)4-8(11(6)14)9-5-10(12)13-16-9/h3-5,14H,1-2H3,(H2,12,13).
What are the key properties of 2-(3-amino-1,2-oxazol-5-yl)-4-methoxy-6-methylphenol?
2-(3-amino-1,2-oxazol-5-yl)-4-methoxy-6-methylphenol has a molecular weight of 220.23 g/mol, XLogP of 1.95, 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)-4-methoxy-6-methylphenol is sourced from PubChem (CID 136993780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).