2-(5-amino-1,2-oxazol-4-yl)-6-chloro-4-ethylphenol

C11H11ClN2O2 — CID 117349778

IUPAC2-(5-amino-1,2-oxazol-4-yl)-6-chloro-4-ethylphenol
SMILESCCc1cc(Cl)c(O)c(-c2cnoc2N)c1
InChIInChI=1S/C11H11ClN2O2/c1-2-6-3-7(10(15)9(12)4-6)8-5-14-16-11(8)13/h3-5,15H,2,13H2,1H3
InChIKeyGDMLZSDXYZPJAH-UHFFFAOYSA-N
MW238.67 g/mol
LogP2.85
Rot. Bonds2

About 2-(5-amino-1,2-oxazol-4-yl)-6-chloro-4-ethylphenol

2-(5-amino-1,2-oxazol-4-yl)-6-chloro-4-ethylphenol (PubChem CID 117349778) has the molecular formula C11H11ClN2O2 and a molecular weight of 238.67 g/mol. Its IUPAC name is 2-(5-amino-1,2-oxazol-4-yl)-6-chloro-4-ethylphenol.

Molecular Properties

Compound Name2-(5-amino-1,2-oxazol-4-yl)-6-chloro-4-ethylphenol
PubChem CID117349778
Molecular FormulaC11H11ClN2O2
Molecular Weight238.67 g/mol
Exact Mass238.05
IUPAC Name2-(5-amino-1,2-oxazol-4-yl)-6-chloro-4-ethylphenol
SMILESCCc1cc(Cl)c(O)c(-c2cnoc2N)c1
InChIInChI=1S/C11H11ClN2O2/c1-2-6-3-7(10(15)9(12)4-6)8-5-14-16-11(8)13/h3-5,15H,2,13H2,1H3
InChIKeyGDMLZSDXYZPJAH-UHFFFAOYSA-N
XLogP2.85
TPSA72.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.67
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(5-ethyl-2,3-difluorophenyl)-1,2-oxazol-5-amine
CID 117321322
4-(3-ethylphenyl)-1,2-oxazol-5-amine
CID 117281180
3-chloro-5-ethylbenzene-1,2-diol
CID 84654490
4-(2-chloro-4,5-dimethoxyphenyl)-1,2-oxazol-5-amine
CID 117389663
4-(3-chloro-4-ethyl-5-methoxyphenyl)-1,2-oxazol-5-amine
CID 117384751
3-(5-amino-1,2-oxazol-4-yl)-4-chloro-2-methoxyphenol
CID 117353908
3-(5-amino-1,2-oxazol-4-yl)-6-methylbenzene-1,2-diol
CID 117294489
4-(3-chloro-2,5-difluorophenyl)-1,2-oxazol-5-amine
CID 117333106
4-(5-chloro-4-fluoro-2-methylphenyl)-1,2-oxazol-5-amine
CID 117325905
4-(5-amino-1,2-oxazol-4-yl)-2-chloro-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ol
CID 117447052
2-(5-amino-1,2-oxazol-4-yl)-6-(difluoromethyl)-4-propan-2-ylphenol
CID 117424037
2-(aminomethyl)-6-chloro-4-ethylphenol;hydrochloride
CID 45259762

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-1,2-oxazol-4-yl)-6-chloro-4-ethylphenol?
The IUPAC name of 2-(5-amino-1,2-oxazol-4-yl)-6-chloro-4-ethylphenol (CID 117349778) is 2-(5-amino-1,2-oxazol-4-yl)-6-chloro-4-ethylphenol.
What is the SMILES notation for 2-(5-amino-1,2-oxazol-4-yl)-6-chloro-4-ethylphenol?
The canonical SMILES for 2-(5-amino-1,2-oxazol-4-yl)-6-chloro-4-ethylphenol is CCc1cc(Cl)c(O)c(-c2cnoc2N)c1.
What is the InChIKey of 2-(5-amino-1,2-oxazol-4-yl)-6-chloro-4-ethylphenol?
The InChIKey is GDMLZSDXYZPJAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O2/c1-2-6-3-7(10(15)9(12)4-6)8-5-14-16-11(8)13/h3-5,15H,2,13H2,1H3.
What are the key properties of 2-(5-amino-1,2-oxazol-4-yl)-6-chloro-4-ethylphenol?
2-(5-amino-1,2-oxazol-4-yl)-6-chloro-4-ethylphenol has a molecular weight of 238.67 g/mol, XLogP of 2.85, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-1,2-oxazol-4-yl)-6-chloro-4-ethylphenol is sourced from PubChem (CID 117349778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).