N-(5-chloro-2-methoxyphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide

C18H15ClN2O3 — CID 741168

IUPACN-(5-chloro-2-methoxyphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)c1c(-c2ccccc2)noc1C
InChIInChI=1S/C18H15ClN2O3/c1-11-16(17(21-24-11)12-6-4-3-5-7-12)18(22)20-14-10-13(19)8-9-15(14)23-2/h3-10H,1-2H3,(H,20,22)
InChIKeySHEYZDJERUEJDI-UHFFFAOYSA-N
MW342.78 g/mol
LogP4.56
Rot. Bonds4

About N-(5-chloro-2-methoxyphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide

N-(5-chloro-2-methoxyphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide (PubChem CID 741168) has the molecular formula C18H15ClN2O3 and a molecular weight of 342.78 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
PubChem CID741168
Molecular FormulaC18H15ClN2O3
Molecular Weight342.78 g/mol
Exact Mass342.08
IUPAC NameN-(5-chloro-2-methoxyphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)c1c(-c2ccccc2)noc1C
InChIInChI=1S/C18H15ClN2O3/c1-11-16(17(21-24-11)12-6-4-3-5-7-12)18(22)20-14-10-13(19)8-9-15(14)23-2/h3-10H,1-2H3,(H,20,22)
InChIKeySHEYZDJERUEJDI-UHFFFAOYSA-N
XLogP4.56
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.78
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide (CID 741168) is N-(5-chloro-2-methoxyphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide is COc1ccc(Cl)cc1NC(=O)c1c(-c2ccccc2)noc1C.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The InChIKey is SHEYZDJERUEJDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O3/c1-11-16(17(21-24-11)12-6-4-3-5-7-12)18(22)20-14-10-13(19)8-9-15(14)23-2/h3-10H,1-2H3,(H,20,22).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
N-(5-chloro-2-methoxyphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide has a molecular weight of 342.78 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 741168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).