N-(3-chlorophenyl)-5-(3,4-dimethoxyphenyl)-1,3-oxazole-4-carboxamide

C18H15ClN2O4 — CID 20963819

IUPACN-(3-chlorophenyl)-5-(3,4-dimethoxyphenyl)-1,3-oxazole-4-carboxamide
SMILESCOc1ccc(-c2ocnc2C(=O)Nc2cccc(Cl)c2)cc1OC
InChIInChI=1S/C18H15ClN2O4/c1-23-14-7-6-11(8-15(14)24-2)17-16(20-10-25-17)18(22)21-13-5-3-4-12(19)9-13/h3-10H,1-2H3,(H,21,22)
InChIKeyGABPHBIAYJENHK-UHFFFAOYSA-N
MW358.78 g/mol
LogP4.26
Rot. Bonds5

About N-(3-chlorophenyl)-5-(3,4-dimethoxyphenyl)-1,3-oxazole-4-carboxamide

N-(3-chlorophenyl)-5-(3,4-dimethoxyphenyl)-1,3-oxazole-4-carboxamide (PubChem CID 20963819) has the molecular formula C18H15ClN2O4 and a molecular weight of 358.78 g/mol. Its IUPAC name is N-(3-chlorophenyl)-5-(3,4-dimethoxyphenyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-5-(3,4-dimethoxyphenyl)-1,3-oxazole-4-carboxamide
PubChem CID20963819
Molecular FormulaC18H15ClN2O4
Molecular Weight358.78 g/mol
Exact Mass358.07
IUPAC NameN-(3-chlorophenyl)-5-(3,4-dimethoxyphenyl)-1,3-oxazole-4-carboxamide
SMILESCOc1ccc(-c2ocnc2C(=O)Nc2cccc(Cl)c2)cc1OC
InChIInChI=1S/C18H15ClN2O4/c1-23-14-7-6-11(8-15(14)24-2)17-16(20-10-25-17)18(22)21-13-5-3-4-12(19)9-13/h3-10H,1-2H3,(H,21,22)
InChIKeyGABPHBIAYJENHK-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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Related Compounds

N-(3-chlorophenyl)-5-(3-methoxyphenyl)-1,3-oxazole-4-carboxamide
CID 20963631
5-(3,4-dimethoxyphenyl)-N-(3,5-dimethylphenyl)-1,3-oxazole-4-carboxamide
CID 20963848
5-(3,4-dimethoxyphenyl)-N-(3,5-dimethoxyphenyl)-1,3-oxazole-4-carboxamide
CID 20963825
5-(3,4-dimethoxyphenyl)-N-(2,6-dimethylphenyl)-1,3-oxazole-4-carboxamide
CID 20963827
5-(3,4-dimethoxyphenyl)-N-(4-phenoxyphenyl)-1,3-oxazole-4-carboxamide
CID 6489736
5-(3,4-dimethoxyphenyl)-N-naphthalen-1-yl-1,3-oxazole-4-carboxamide
CID 126471311
N-(3-chlorophenyl)-5-(3,4-dimethoxyphenyl)-1,2-oxazole-3-carboxamide
CID 15997665
N-(5-chloro-2-methoxyphenyl)-5-naphthalen-2-yl-1,3-oxazole-4-carboxamide
CID 6489760
5-(3,4-dimethoxyphenyl)-N-(2,5-dimethylphenyl)-1,3-oxazole-4-carboxamide
CID 20963840
5-(3,4-dimethoxyphenyl)-N-[2-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide
CID 20963811
5-(3-chlorophenyl)-N-[(2-methoxyphenyl)methyl]-1,3-oxazole-4-carboxamide
CID 20963785
N-(3,4-dimethoxyphenyl)-5-[2-[(3-fluorophenyl)carbamoyl]phenyl]-1,3-oxazole-4-carboxamide
CID 53122892

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-5-(3,4-dimethoxyphenyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-5-(3,4-dimethoxyphenyl)-1,3-oxazole-4-carboxamide (CID 20963819) is N-(3-chlorophenyl)-5-(3,4-dimethoxyphenyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-5-(3,4-dimethoxyphenyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-5-(3,4-dimethoxyphenyl)-1,3-oxazole-4-carboxamide is COc1ccc(-c2ocnc2C(=O)Nc2cccc(Cl)c2)cc1OC.
What is the InChIKey of N-(3-chlorophenyl)-5-(3,4-dimethoxyphenyl)-1,3-oxazole-4-carboxamide?
The InChIKey is GABPHBIAYJENHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O4/c1-23-14-7-6-11(8-15(14)24-2)17-16(20-10-25-17)18(22)21-13-5-3-4-12(19)9-13/h3-10H,1-2H3,(H,21,22).
What are the key properties of N-(3-chlorophenyl)-5-(3,4-dimethoxyphenyl)-1,3-oxazole-4-carboxamide?
N-(3-chlorophenyl)-5-(3,4-dimethoxyphenyl)-1,3-oxazole-4-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-(3,4-dimethoxyphenyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 20963819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).