N-(2,4-dimethoxyphenyl)-2-(thiophene-2-carbonylamino)-1,3-oxazole-4-carboxamide

C17H15N3O5S — CID 90515403

IUPACN-(2,4-dimethoxyphenyl)-2-(thiophene-2-carbonylamino)-1,3-oxazole-4-carboxamide
SMILESCOc1ccc(NC(=O)c2coc(NC(=O)c3cccs3)n2)c(OC)c1
InChIInChI=1S/C17H15N3O5S/c1-23-10-5-6-11(13(8-10)24-2)18-15(21)12-9-25-17(19-12)20-16(22)14-4-3-7-26-14/h3-9H,1-2H3,(H,18,21)(H,19,20,22)
InChIKeyLEEVSMJBQRVJBD-UHFFFAOYSA-N
MW373.39 g/mol
LogP3.26
Rot. Bonds6

About N-(2,4-dimethoxyphenyl)-2-(thiophene-2-carbonylamino)-1,3-oxazole-4-carboxamide

N-(2,4-dimethoxyphenyl)-2-(thiophene-2-carbonylamino)-1,3-oxazole-4-carboxamide (PubChem CID 90515403) has the molecular formula C17H15N3O5S and a molecular weight of 373.39 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-2-(thiophene-2-carbonylamino)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-2-(thiophene-2-carbonylamino)-1,3-oxazole-4-carboxamide
PubChem CID90515403
Molecular FormulaC17H15N3O5S
Molecular Weight373.39 g/mol
Exact Mass373.07
IUPAC NameN-(2,4-dimethoxyphenyl)-2-(thiophene-2-carbonylamino)-1,3-oxazole-4-carboxamide
SMILESCOc1ccc(NC(=O)c2coc(NC(=O)c3cccs3)n2)c(OC)c1
InChIInChI=1S/C17H15N3O5S/c1-23-10-5-6-11(13(8-10)24-2)18-15(21)12-9-25-17(19-12)20-16(22)14-4-3-7-26-14/h3-9H,1-2H3,(H,18,21)(H,19,20,22)
InChIKeyLEEVSMJBQRVJBD-UHFFFAOYSA-N
XLogP3.26
TPSA102.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.39
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2,5-dimethoxyphenyl)-2-(thiophene-2-carbonylamino)-1,3-oxazole-4-carboxamide
CID 90515404
N-[(2,4-dimethoxyphenyl)carbamothioyl]thiophene-2-carboxamide
CID 2901650
1-(2,4-dimethoxyphenyl)-3-(thiophene-2-carbonylamino)thiourea
CID 1496159
N-(3-chloro-2-methylphenyl)-2-(thiophene-2-carbonylamino)-1,3-oxazole-4-carboxamide
CID 90515407
N-[[4-[(2,4-dimethoxyphenyl)carbamoyl]phenyl]methyl]thiophene-2-carboxamide
CID 46484966
N-[3-(methanesulfonamido)phenyl]-2-(thiophene-2-carbonylamino)-1,3-oxazole-4-carboxamide
CID 52907985
[2-(2,4-dimethoxyanilino)-2-oxoethyl] 4,5-dimethoxy-2-(thiophene-2-carbonylamino)benzoate
CID 23849455
N-(4-cyanophenyl)-2-(thiophene-2-carbonylamino)-1,3-oxazole-4-carboxamide
CID 90515476
N-[4-[2-(methylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-(thiophene-2-carbonylamino)-1,3-oxazole-4-carboxamide
CID 90515460
N-[5-chloro-2-(4-methoxyphenoxy)phenyl]thiophene-2-carboxamide
CID 26267194
N-(2,4-dimethoxyphenyl)-1,3-oxazole-4-carboxamide
CID 110689577
4-chloro-N-(2,4-dimethoxyphenyl)thiophene-2-carboxamide
CID 110860596

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-2-(thiophene-2-carbonylamino)-1,3-oxazole-4-carboxamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-2-(thiophene-2-carbonylamino)-1,3-oxazole-4-carboxamide (CID 90515403) is N-(2,4-dimethoxyphenyl)-2-(thiophene-2-carbonylamino)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-2-(thiophene-2-carbonylamino)-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-2-(thiophene-2-carbonylamino)-1,3-oxazole-4-carboxamide is COc1ccc(NC(=O)c2coc(NC(=O)c3cccs3)n2)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-2-(thiophene-2-carbonylamino)-1,3-oxazole-4-carboxamide?
The InChIKey is LEEVSMJBQRVJBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O5S/c1-23-10-5-6-11(13(8-10)24-2)18-15(21)12-9-25-17(19-12)20-16(22)14-4-3-7-26-14/h3-9H,1-2H3,(H,18,21)(H,19,20,22).
What are the key properties of N-(2,4-dimethoxyphenyl)-2-(thiophene-2-carbonylamino)-1,3-oxazole-4-carboxamide?
N-(2,4-dimethoxyphenyl)-2-(thiophene-2-carbonylamino)-1,3-oxazole-4-carboxamide has a molecular weight of 373.39 g/mol, XLogP of 3.26, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-2-(thiophene-2-carbonylamino)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 90515403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).