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

C18H15ClN2O4 — CID 3242014

IUPACN-(3-chlorophenyl)-5-(2,5-dimethoxyphenyl)-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(OC)c(-c2cc(C(=O)Nc3cccc(Cl)c3)no2)c1
InChIInChI=1S/C18H15ClN2O4/c1-23-13-6-7-16(24-2)14(9-13)17-10-15(21-25-17)18(22)20-12-5-3-4-11(19)8-12/h3-10H,1-2H3,(H,20,22)
InChIKeyXYPFUCMRLGNLML-UHFFFAOYSA-N
MW358.78 g/mol
LogP4.26
Rot. Bonds5

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

N-(3-chlorophenyl)-5-(2,5-dimethoxyphenyl)-1,2-oxazole-3-carboxamide (PubChem CID 3242014) has the molecular formula C18H15ClN2O4 and a molecular weight of 358.78 g/mol. Its IUPAC name is N-(3-chlorophenyl)-5-(2,5-dimethoxyphenyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-5-(2,5-dimethoxyphenyl)-1,2-oxazole-3-carboxamide
PubChem CID3242014
Molecular FormulaC18H15ClN2O4
Molecular Weight358.78 g/mol
Exact Mass358.07
IUPAC NameN-(3-chlorophenyl)-5-(2,5-dimethoxyphenyl)-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(OC)c(-c2cc(C(=O)Nc3cccc(Cl)c3)no2)c1
InChIInChI=1S/C18H15ClN2O4/c1-23-13-6-7-16(24-2)14(9-13)17-10-15(21-25-17)18(22)20-12-5-3-4-11(19)8-12/h3-10H,1-2H3,(H,20,22)
InChIKeyXYPFUCMRLGNLML-UHFFFAOYSA-N
XLogP4.26
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.78
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-5-(2,5-dimethoxyphenyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-5-(2,5-dimethoxyphenyl)-1,2-oxazole-3-carboxamide (CID 3242014) is N-(3-chlorophenyl)-5-(2,5-dimethoxyphenyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-5-(2,5-dimethoxyphenyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-5-(2,5-dimethoxyphenyl)-1,2-oxazole-3-carboxamide is COc1ccc(OC)c(-c2cc(C(=O)Nc3cccc(Cl)c3)no2)c1.
What is the InChIKey of N-(3-chlorophenyl)-5-(2,5-dimethoxyphenyl)-1,2-oxazole-3-carboxamide?
The InChIKey is XYPFUCMRLGNLML-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O4/c1-23-13-6-7-16(24-2)14(9-13)17-10-15(21-25-17)18(22)20-12-5-3-4-11(19)8-12/h3-10H,1-2H3,(H,20,22).
What are the key properties of N-(3-chlorophenyl)-5-(2,5-dimethoxyphenyl)-1,2-oxazole-3-carboxamide?
N-(3-chlorophenyl)-5-(2,5-dimethoxyphenyl)-1,2-oxazole-3-carboxamide has a molecular weight of 358.78 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-5-(2,5-dimethoxyphenyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 3242014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).