5-(2-chlorophenyl)-N-(3-hydroxyphenyl)-1,2-oxazole-3-carboxamide

C16H11ClN2O3 — CID 1093850

IUPAC5-(2-chlorophenyl)-N-(3-hydroxyphenyl)-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1cccc(O)c1)c1cc(-c2ccccc2Cl)on1
InChIInChI=1S/C16H11ClN2O3/c17-13-7-2-1-6-12(13)15-9-14(19-22-15)16(21)18-10-4-3-5-11(20)8-10/h1-9,20H,(H,18,21)
InChIKeyRLEQGNDXARVLLB-UHFFFAOYSA-N
MW314.73 g/mol
LogP3.95
Rot. Bonds3

About 5-(2-chlorophenyl)-N-(3-hydroxyphenyl)-1,2-oxazole-3-carboxamide

5-(2-chlorophenyl)-N-(3-hydroxyphenyl)-1,2-oxazole-3-carboxamide (PubChem CID 1093850) has the molecular formula C16H11ClN2O3 and a molecular weight of 314.73 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-N-(3-hydroxyphenyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(2-chlorophenyl)-N-(3-hydroxyphenyl)-1,2-oxazole-3-carboxamide
PubChem CID1093850
Molecular FormulaC16H11ClN2O3
Molecular Weight314.73 g/mol
Exact Mass314.05
IUPAC Name5-(2-chlorophenyl)-N-(3-hydroxyphenyl)-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1cccc(O)c1)c1cc(-c2ccccc2Cl)on1
InChIInChI=1S/C16H11ClN2O3/c17-13-7-2-1-6-12(13)15-9-14(19-22-15)16(21)18-10-4-3-5-11(20)8-10/h1-9,20H,(H,18,21)
InChIKeyRLEQGNDXARVLLB-UHFFFAOYSA-N
XLogP3.95
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.73
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-chlorophenyl)-N-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 1093858
5-(2-chlorophenyl)-N-cyclohexyl-3-isoxazolecarboxamide
CID 1093865
5-(4-Chlorophenyl)isoxazol-3-yl 4-phenylpiperazinyl ketone
CID 17252726
5-(2-chlorophenyl)-N-cyclopentyl-1,2-oxazole-3-carboxamide
CID 1093861
N-(3-hydroxyphenyl)-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 3685905
N-(3-hydroxyphenyl)-5-isobutylisoxazole-3-carboxamide
CID 16194030
5-(4-chlorophenyl)-N-cyclohexyl-3-isoxazolecarboxamide
CID 17252724
N-(3-chlorophenyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 1252051
N1-{3-[3-(2,6-dichlorophenyl)isoxazol-5-yl]phenyl}-2,2-dimethylpropanamide
CID 2726474
N-(2,3-dimethyl-5-oxo-1-phenyl(3-pyrazolin-4-yl))[5-(4-chlorophenyl)isoxazol-3-yl]carboxamide
CID 15988864
4-Chloro-5-(4-(trifluoromethyl)phenyl)-N-(3-hydroxyphenyl)isoxazole-3-carboxamide
CID 25181624
N-(4-chlorophenyl)-1,2-benzoxazole-3-carboxamide
CID 167437415

Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-N-(3-hydroxyphenyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(2-chlorophenyl)-N-(3-hydroxyphenyl)-1,2-oxazole-3-carboxamide (CID 1093850) is 5-(2-chlorophenyl)-N-(3-hydroxyphenyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(2-chlorophenyl)-N-(3-hydroxyphenyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(2-chlorophenyl)-N-(3-hydroxyphenyl)-1,2-oxazole-3-carboxamide is O=C(Nc1cccc(O)c1)c1cc(-c2ccccc2Cl)on1.
What is the InChIKey of 5-(2-chlorophenyl)-N-(3-hydroxyphenyl)-1,2-oxazole-3-carboxamide?
The InChIKey is RLEQGNDXARVLLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN2O3/c17-13-7-2-1-6-12(13)15-9-14(19-22-15)16(21)18-10-4-3-5-11(20)8-10/h1-9,20H,(H,18,21).
What are the key properties of 5-(2-chlorophenyl)-N-(3-hydroxyphenyl)-1,2-oxazole-3-carboxamide?
5-(2-chlorophenyl)-N-(3-hydroxyphenyl)-1,2-oxazole-3-carboxamide has a molecular weight of 314.73 g/mol, XLogP of 3.95, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-N-(3-hydroxyphenyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 1093850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).