2-(3-amino-1,2-oxazol-5-yl)-4-chloro-6-propan-2-ylphenol

C12H13ClN2O2 — CID 136942237

IUPAC2-(3-amino-1,2-oxazol-5-yl)-4-chloro-6-propan-2-ylphenol
SMILESCC(C)c1cc(Cl)cc(-c2cc(N)no2)c1O
InChIInChI=1S/C12H13ClN2O2/c1-6(2)8-3-7(13)4-9(12(8)16)10-5-11(14)15-17-10/h3-6,16H,1-2H3,(H2,14,15)
InChIKeyMKURHAHMCDNVQA-UHFFFAOYSA-N
MW252.70 g/mol
LogP3.41
Rot. Bonds2

About 2-(3-amino-1,2-oxazol-5-yl)-4-chloro-6-propan-2-ylphenol

2-(3-amino-1,2-oxazol-5-yl)-4-chloro-6-propan-2-ylphenol (PubChem CID 136942237) has the molecular formula C12H13ClN2O2 and a molecular weight of 252.70 g/mol. Its IUPAC name is 2-(3-amino-1,2-oxazol-5-yl)-4-chloro-6-propan-2-ylphenol.

Molecular Properties

Compound Name2-(3-amino-1,2-oxazol-5-yl)-4-chloro-6-propan-2-ylphenol
PubChem CID136942237
Molecular FormulaC12H13ClN2O2
Molecular Weight252.70 g/mol
Exact Mass252.07
IUPAC Name2-(3-amino-1,2-oxazol-5-yl)-4-chloro-6-propan-2-ylphenol
SMILESCC(C)c1cc(Cl)cc(-c2cc(N)no2)c1O
InChIInChI=1S/C12H13ClN2O2/c1-6(2)8-3-7(13)4-9(12(8)16)10-5-11(14)15-17-10/h3-6,16H,1-2H3,(H2,14,15)
InChIKeyMKURHAHMCDNVQA-UHFFFAOYSA-N
XLogP3.41
TPSA72.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.70
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-amino-1,2-oxazol-5-yl)-4-bromo-3-methyl-6-propan-2-ylphenol
CID 136928674
5-(2-propan-2-ylphenyl)-1,2-oxazol-3-amine
CID 117290994
5-(5-chloro-3-methoxy-2-propan-2-yloxyphenyl)-1,2-oxazol-3-amine
CID 117454242
5-(2,5-dichlorophenyl)-1,2-oxazol-3-amine
CID 66198012
5-(5-chloro-2-fluoro-3-methoxyphenyl)-1,2-oxazol-3-amine
CID 117358471
5-(3,5-dichlorophenyl)-1,2-oxazol-3-amine
CID 66199808
5-(6-chloro-1,3-benzodioxol-4-yl)-1,2-oxazol-3-amine
CID 117349709
5-(5-chloro-3-ethyl-2-methoxyphenyl)-1,2-oxazol-3-amine
CID 117384774
2-(3-amino-1,2-oxazol-5-yl)-4-methoxy-6-methylphenol
CID 136993780
2-(3-amino-1,2-oxazol-5-yl)-3-fluoro-6-methylphenol
CID 136998720
5-(7-chloro-4-propan-2-yl-1,3-benzodioxol-5-yl)-1,2-oxazol-3-amine
CID 117450694
2-(aminomethyl)-4-chloro-6-propan-2-ylphenol
CID 82265863

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-1,2-oxazol-5-yl)-4-chloro-6-propan-2-ylphenol?
The IUPAC name of 2-(3-amino-1,2-oxazol-5-yl)-4-chloro-6-propan-2-ylphenol (CID 136942237) is 2-(3-amino-1,2-oxazol-5-yl)-4-chloro-6-propan-2-ylphenol.
What is the SMILES notation for 2-(3-amino-1,2-oxazol-5-yl)-4-chloro-6-propan-2-ylphenol?
The canonical SMILES for 2-(3-amino-1,2-oxazol-5-yl)-4-chloro-6-propan-2-ylphenol is CC(C)c1cc(Cl)cc(-c2cc(N)no2)c1O.
What is the InChIKey of 2-(3-amino-1,2-oxazol-5-yl)-4-chloro-6-propan-2-ylphenol?
The InChIKey is MKURHAHMCDNVQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O2/c1-6(2)8-3-7(13)4-9(12(8)16)10-5-11(14)15-17-10/h3-6,16H,1-2H3,(H2,14,15).
What are the key properties of 2-(3-amino-1,2-oxazol-5-yl)-4-chloro-6-propan-2-ylphenol?
2-(3-amino-1,2-oxazol-5-yl)-4-chloro-6-propan-2-ylphenol has a molecular weight of 252.70 g/mol, XLogP of 3.41, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-1,2-oxazol-5-yl)-4-chloro-6-propan-2-ylphenol is sourced from PubChem (CID 136942237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).