5-(3-chlorophenyl)-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-1,2-oxazole-3-carboxamide

C21H20ClN3O4 — CID 46417756

IUPAC5-(3-chlorophenyl)-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-1,2-oxazole-3-carboxamide
SMILESCCN(CC(=O)Nc1cccc(OC)c1)C(=O)c1cc(-c2cccc(Cl)c2)on1
InChIInChI=1S/C21H20ClN3O4/c1-3-25(13-20(26)23-16-8-5-9-17(11-16)28-2)21(27)18-12-19(29-24-18)14-6-4-7-15(22)10-14/h4-12H,3,13H2,1-2H3,(H,23,26)
InChIKeyHHXITFCPVWJAOW-UHFFFAOYSA-N
MW413.86 g/mol
LogP4.10
Rot. Bonds7

About 5-(3-chlorophenyl)-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-1,2-oxazole-3-carboxamide

5-(3-chlorophenyl)-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-1,2-oxazole-3-carboxamide (PubChem CID 46417756) has the molecular formula C21H20ClN3O4 and a molecular weight of 413.86 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(3-chlorophenyl)-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-1,2-oxazole-3-carboxamide
PubChem CID46417756
Molecular FormulaC21H20ClN3O4
Molecular Weight413.86 g/mol
Exact Mass413.11
IUPAC Name5-(3-chlorophenyl)-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-1,2-oxazole-3-carboxamide
SMILESCCN(CC(=O)Nc1cccc(OC)c1)C(=O)c1cc(-c2cccc(Cl)c2)on1
InChIInChI=1S/C21H20ClN3O4/c1-3-25(13-20(26)23-16-8-5-9-17(11-16)28-2)21(27)18-12-19(29-24-18)14-6-4-7-15(22)10-14/h4-12H,3,13H2,1-2H3,(H,23,26)
InChIKeyHHXITFCPVWJAOW-UHFFFAOYSA-N
XLogP4.10
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.86
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(3-chlorophenyl)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-ethyl-1,2-oxazole-3-carboxamide
CID 46417722
4-chloro-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]benzamide
CID 7958626
N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]thiophene-2-carboxamide
CID 26353614
2-[[2-(3-chlorophenoxy)acetyl]-ethylamino]-N-(3-methoxyphenyl)acetamide
CID 34778386
N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]propanamide
CID 43011197
N-ethyl-2,3,4-trimethoxy-N-[2-(3-methoxyanilino)-2-oxoethyl]benzamide
CID 55344386
2,4-dichloro-N-[2-[ethyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 30839710
4-chloro-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-3-nitrobenzamide
CID 7769709
2-amino-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-2-methylpentanamide
CID 119729089
N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-2-(5-phenyl-1,3-oxazol-2-yl)benzamide
CID 60618248
5-(3-chlorophenyl)-N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-1,2-oxazole-3-carboxamide
CID 56511813
N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 34778567

Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(3-chlorophenyl)-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-1,2-oxazole-3-carboxamide (CID 46417756) is 5-(3-chlorophenyl)-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(3-chlorophenyl)-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(3-chlorophenyl)-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-1,2-oxazole-3-carboxamide is CCN(CC(=O)Nc1cccc(OC)c1)C(=O)c1cc(-c2cccc(Cl)c2)on1.
What is the InChIKey of 5-(3-chlorophenyl)-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-1,2-oxazole-3-carboxamide?
The InChIKey is HHXITFCPVWJAOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O4/c1-3-25(13-20(26)23-16-8-5-9-17(11-16)28-2)21(27)18-12-19(29-24-18)14-6-4-7-15(22)10-14/h4-12H,3,13H2,1-2H3,(H,23,26).
What are the key properties of 5-(3-chlorophenyl)-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-1,2-oxazole-3-carboxamide?
5-(3-chlorophenyl)-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-1,2-oxazole-3-carboxamide has a molecular weight of 413.86 g/mol, XLogP of 4.10, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenyl)-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 46417756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).