N-(5-chloro-2-fluorophenyl)-5-(4-fluoro-3-hydroxyphenyl)-1,2-oxazole-3-carboxamide;molecular hydrogen

C16H11ClF2N2O3 — CID 167670924

IUPACN-(5-chloro-2-fluorophenyl)-5-(4-fluoro-3-hydroxyphenyl)-1,2-oxazole-3-carboxamide;molecular hydrogen
SMILESO=C(Nc1cc(Cl)ccc1F)c1cc(-c2ccc(F)c(O)c2)on1.[H][H]
InChIInChI=1S/C16H9ClF2N2O3.H2/c17-9-2-4-10(18)12(6-9)20-16(23)13-7-15(24-21-13)8-1-3-11(19)14(22)5-8;/h1-7,22H,(H,20,23);1H
InChIKeyUCCDNPFWBLQWJN-UHFFFAOYSA-N
MW352.72 g/mol
LogP4.48
Rot. Bonds3

About N-(5-chloro-2-fluorophenyl)-5-(4-fluoro-3-hydroxyphenyl)-1,2-oxazole-3-carboxamide;molecular hydrogen

N-(5-chloro-2-fluorophenyl)-5-(4-fluoro-3-hydroxyphenyl)-1,2-oxazole-3-carboxamide;molecular hydrogen (PubChem CID 167670924) has the molecular formula C16H11ClF2N2O3 and a molecular weight of 352.72 g/mol. Its IUPAC name is N-(5-chloro-2-fluorophenyl)-5-(4-fluoro-3-hydroxyphenyl)-1,2-oxazole-3-carboxamide;molecular hydrogen.

Molecular Properties

Compound NameN-(5-chloro-2-fluorophenyl)-5-(4-fluoro-3-hydroxyphenyl)-1,2-oxazole-3-carboxamide;molecular hydrogen
PubChem CID167670924
Molecular FormulaC16H11ClF2N2O3
Molecular Weight352.72 g/mol
Exact Mass352.04
IUPAC NameN-(5-chloro-2-fluorophenyl)-5-(4-fluoro-3-hydroxyphenyl)-1,2-oxazole-3-carboxamide;molecular hydrogen
SMILESO=C(Nc1cc(Cl)ccc1F)c1cc(-c2ccc(F)c(O)c2)on1.[H][H]
InChIInChI=1S/C16H9ClF2N2O3.H2/c17-9-2-4-10(18)12(6-9)20-16(23)13-7-15(24-21-13)8-1-3-11(19)14(22)5-8;/h1-7,22H,(H,20,23);1H
InChIKeyUCCDNPFWBLQWJN-UHFFFAOYSA-N
XLogP4.48
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.72
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chlorophenyl)-5-(4-fluoro-3-hydroxyphenyl)-1,2-oxazole-3-carboxamide
CID 75204524
N-(4-chloro-2-fluorophenyl)-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide
CID 112807161
N-(2,5-dichlorophenyl)-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 17252836
N-(5-chloro-2-methyl-3-pyridinyl)-5-(3-hydroxy-4-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 75204528
N-(5-chloro-2-methoxyphenyl)-5-(3-chlorophenyl)-1,2-oxazole-3-carboxamide
CID 17252987
N-(2,3-dimethylphenyl)-5-(4-fluoro-3-methylphenyl)-1,2-oxazole-3-carboxamide
CID 46265526
4-chloro-N-(5-chloro-2-fluorophenyl)pyridine-2-carboxamide
CID 43385379
5-(4-chlorophenyl)-N-(2,3-dichlorophenyl)-1,2-oxazole-3-carboxamide
CID 100777051
N-(2-chloro-4-methylphenyl)-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide
CID 112807159
5-(4-chlorophenyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide
CID 17252743
N-(5-chloro-2-methoxyphenyl)-5-(3-methylphenyl)-1,2-oxazole-3-carboxamide
CID 159062003
N-(2,1,3-benzothiadiazol-4-yl)-5-(3,4-difluorophenyl)-1,2-oxazole-3-carboxamide
CID 51064558

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-fluorophenyl)-5-(4-fluoro-3-hydroxyphenyl)-1,2-oxazole-3-carboxamide;molecular hydrogen?
The IUPAC name of N-(5-chloro-2-fluorophenyl)-5-(4-fluoro-3-hydroxyphenyl)-1,2-oxazole-3-carboxamide;molecular hydrogen (CID 167670924) is N-(5-chloro-2-fluorophenyl)-5-(4-fluoro-3-hydroxyphenyl)-1,2-oxazole-3-carboxamide;molecular hydrogen.
What is the SMILES notation for N-(5-chloro-2-fluorophenyl)-5-(4-fluoro-3-hydroxyphenyl)-1,2-oxazole-3-carboxamide;molecular hydrogen?
The canonical SMILES for N-(5-chloro-2-fluorophenyl)-5-(4-fluoro-3-hydroxyphenyl)-1,2-oxazole-3-carboxamide;molecular hydrogen is O=C(Nc1cc(Cl)ccc1F)c1cc(-c2ccc(F)c(O)c2)on1.[H][H].
What is the InChIKey of N-(5-chloro-2-fluorophenyl)-5-(4-fluoro-3-hydroxyphenyl)-1,2-oxazole-3-carboxamide;molecular hydrogen?
The InChIKey is UCCDNPFWBLQWJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9ClF2N2O3.H2/c17-9-2-4-10(18)12(6-9)20-16(23)13-7-15(24-21-13)8-1-3-11(19)14(22)5-8;/h1-7,22H,(H,20,23);1H.
What are the key properties of N-(5-chloro-2-fluorophenyl)-5-(4-fluoro-3-hydroxyphenyl)-1,2-oxazole-3-carboxamide;molecular hydrogen?
N-(5-chloro-2-fluorophenyl)-5-(4-fluoro-3-hydroxyphenyl)-1,2-oxazole-3-carboxamide;molecular hydrogen has a molecular weight of 352.72 g/mol, XLogP of 4.48, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-fluorophenyl)-5-(4-fluoro-3-hydroxyphenyl)-1,2-oxazole-3-carboxamide;molecular hydrogen is sourced from PubChem (CID 167670924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).