2-[(5S)-3-(2,6-dichlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-6-methoxyphenol

C16H13Cl2NO3 — CID 134962986

IUPAC2-[(5S)-3-(2,6-dichlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-6-methoxyphenol
SMILESCOc1cccc([C@@H]2CC(c3c(Cl)cccc3Cl)=NO2)c1O
InChIInChI=1S/C16H13Cl2NO3/c1-21-13-7-2-4-9(16(13)20)14-8-12(19-22-14)15-10(17)5-3-6-11(15)18/h2-7,14,20H,8H2,1H3/t14-/m0/s1
InChIKeyHQNCCIYBKSERNT-AWEZNQCLSA-N
MW338.19 g/mol
LogP4.57
Rot. Bonds3

About 2-[(5S)-3-(2,6-dichlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-6-methoxyphenol

2-[(5S)-3-(2,6-dichlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-6-methoxyphenol (PubChem CID 134962986) has the molecular formula C16H13Cl2NO3 and a molecular weight of 338.19 g/mol. Its IUPAC name is 2-[(5S)-3-(2,6-dichlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-6-methoxyphenol.

Molecular Properties

Compound Name2-[(5S)-3-(2,6-dichlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-6-methoxyphenol
PubChem CID134962986
Molecular FormulaC16H13Cl2NO3
Molecular Weight338.19 g/mol
Exact Mass337.03
IUPAC Name2-[(5S)-3-(2,6-dichlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-6-methoxyphenol
SMILESCOc1cccc([C@@H]2CC(c3c(Cl)cccc3Cl)=NO2)c1O
InChIInChI=1S/C16H13Cl2NO3/c1-21-13-7-2-4-9(16(13)20)14-8-12(19-22-14)15-10(17)5-3-6-11(15)18/h2-7,14,20H,8H2,1H3/t14-/m0/s1
InChIKeyHQNCCIYBKSERNT-AWEZNQCLSA-N
XLogP4.57
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.19
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(5S)-3-(2,6-dichlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-6-methoxyphenol with MolForge

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Related Compounds

2-[(5S)-3-benzyl-4,5-dihydro-1,2-oxazol-5-yl]-6-methoxyphenol
CID 177432680
4-chloro-2-[5-(3,4-dimethoxyphenyl)-4,5-dihydro-1,2-oxazol-3-yl]-3,5-dimethylphenol
CID 136961721
(5S)-3-(2,6-dichlorophenyl)-5-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazole
CID 129386102
2-[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]phenol
CID 10612032
2-methoxy-6-(3-methyloxiran-2-yl)phenol
CID 130036138
2-[5-(2,6-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-6-methoxyphenol
CID 142771785
3-(2-chloro-6-fluorophenyl)-N-(2-methoxy-5-methylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 19489524
2-(3,4-dihydro-2H-chromen-2-yl)-6-methoxyphenol
CID 101032427
(5S)-3-(2-chloro-6-fluorophenyl)-N-(5-chloro-2-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 1093568
3-(2-chloro-6-fluorophenyl)-N-(3-chloro-4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 19489483
3-(2-chloro-6-fluorophenyl)-N-(5-chloro-2-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 3158034
2-[4-(4-chlorophenyl)-2-(4-methylphenyl)-1,2,5,6-tetrahydropyrimidin-6-yl]-6-methoxyphenol
CID 20970317

Frequently Asked Questions

What is the IUPAC name of 2-[(5S)-3-(2,6-dichlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-6-methoxyphenol?
The IUPAC name of 2-[(5S)-3-(2,6-dichlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-6-methoxyphenol (CID 134962986) is 2-[(5S)-3-(2,6-dichlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-6-methoxyphenol.
What is the SMILES notation for 2-[(5S)-3-(2,6-dichlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-6-methoxyphenol?
The canonical SMILES for 2-[(5S)-3-(2,6-dichlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-6-methoxyphenol is COc1cccc([C@@H]2CC(c3c(Cl)cccc3Cl)=NO2)c1O.
What is the InChIKey of 2-[(5S)-3-(2,6-dichlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-6-methoxyphenol?
The InChIKey is HQNCCIYBKSERNT-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H13Cl2NO3/c1-21-13-7-2-4-9(16(13)20)14-8-12(19-22-14)15-10(17)5-3-6-11(15)18/h2-7,14,20H,8H2,1H3/t14-/m0/s1.
What are the key properties of 2-[(5S)-3-(2,6-dichlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-6-methoxyphenol?
2-[(5S)-3-(2,6-dichlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-6-methoxyphenol has a molecular weight of 338.19 g/mol, XLogP of 4.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5S)-3-(2,6-dichlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-6-methoxyphenol is sourced from PubChem (CID 134962986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).