N-(3-chlorophenyl)-5-(3,4-dimethoxyphenyl)-1,2-oxazole-3-carboxamide

C18H15ClN2O4 — CID 15997665

IUPACN-(3-chlorophenyl)-5-(3,4-dimethoxyphenyl)-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)Nc3cccc(Cl)c3)no2)cc1OC
InChIInChI=1S/C18H15ClN2O4/c1-23-15-7-6-11(8-17(15)24-2)16-10-14(21-25-16)18(22)20-13-5-3-4-12(19)9-13/h3-10H,1-2H3,(H,20,22)
InChIKeyKLWUUAZXELUZHI-UHFFFAOYSA-N
MW358.78 g/mol
LogP4.26
Rot. Bonds5

About N-(3-chlorophenyl)-5-(3,4-dimethoxyphenyl)-1,2-oxazole-3-carboxamide

N-(3-chlorophenyl)-5-(3,4-dimethoxyphenyl)-1,2-oxazole-3-carboxamide (PubChem CID 15997665) 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)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-5-(3,4-dimethoxyphenyl)-1,2-oxazole-3-carboxamide
PubChem CID15997665
Molecular FormulaC18H15ClN2O4
Molecular Weight358.78 g/mol
Exact Mass358.07
IUPAC NameN-(3-chlorophenyl)-5-(3,4-dimethoxyphenyl)-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)Nc3cccc(Cl)c3)no2)cc1OC
InChIInChI=1S/C18H15ClN2O4/c1-23-15-7-6-11(8-17(15)24-2)16-10-14(21-25-16)18(22)20-13-5-3-4-12(19)9-13/h3-10H,1-2H3,(H,20,22)
InChIKeyKLWUUAZXELUZHI-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-(5-chloro-2-methoxyphenyl)-5-(3-chlorophenyl)-1,2-oxazole-3-carboxamide
CID 17252987
N-(3-chlorophenyl)-5-(4-fluoro-3-hydroxyphenyl)-1,2-oxazole-3-carboxamide
CID 75204524
5-(3-chlorophenyl)-N-(2,5-dimethoxyphenyl)-1,2-oxazole-3-carboxamide
CID 46417352
5-(1,3-benzodioxol-5-yl)-N-(3-chlorophenyl)-1,2-oxazole-3-carboxamide
CID 15988828
N-(3-chlorophenyl)-5-(3,4-dimethoxyphenyl)-1,3-oxazole-4-carboxamide
CID 20963819
N-[(4-chlorophenyl)methyl]-5-(3,4-dimethoxyphenyl)-1,2-oxazole-3-carboxamide
CID 3238946
5-(3-chlorophenyl)-N-(3-fluorophenyl)-1,2-oxazole-3-carboxamide
CID 37341737
5-(3-chlorophenyl)-N-[3-(methylcarbamoyl)phenyl]-1,2-oxazole-3-carboxamide
CID 37340877
N-(5-chloro-2-methoxyphenyl)-5-(3-methylphenyl)-1,2-oxazole-3-carboxamide
CID 159062003
N-(3-chlorophenyl)-2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 46067970
1-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]ethanone
CID 82130829
1-(3-chlorophenyl)-3-[4-(3,4-dimethoxyphenyl)-1,2-oxazol-5-yl]urea
CID 110402667

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-5-(3,4-dimethoxyphenyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-5-(3,4-dimethoxyphenyl)-1,2-oxazole-3-carboxamide (CID 15997665) is N-(3-chlorophenyl)-5-(3,4-dimethoxyphenyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-5-(3,4-dimethoxyphenyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-5-(3,4-dimethoxyphenyl)-1,2-oxazole-3-carboxamide is COc1ccc(-c2cc(C(=O)Nc3cccc(Cl)c3)no2)cc1OC.
What is the InChIKey of N-(3-chlorophenyl)-5-(3,4-dimethoxyphenyl)-1,2-oxazole-3-carboxamide?
The InChIKey is KLWUUAZXELUZHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O4/c1-23-15-7-6-11(8-17(15)24-2)16-10-14(21-25-16)18(22)20-13-5-3-4-12(19)9-13/h3-10H,1-2H3,(H,20,22).
What are the key properties of N-(3-chlorophenyl)-5-(3,4-dimethoxyphenyl)-1,2-oxazole-3-carboxamide?
N-(3-chlorophenyl)-5-(3,4-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-(3,4-dimethoxyphenyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 15997665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).