N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide

C25H23N3O3S — CID 55892303

IUPACN-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide
SMILESCCN(C(=O)Cc1ccc(NC(=O)c2nc(-c3cccs3)oc2C)cc1)c1ccccc1
InChIInChI=1S/C25H23N3O3S/c1-3-28(20-8-5-4-6-9-20)22(29)16-18-11-13-19(14-12-18)26-24(30)23-17(2)31-25(27-23)21-10-7-15-32-21/h4-15H,3,16H2,1-2H3,(H,26,30)
InChIKeyGUWMAZCGZFYLPX-UHFFFAOYSA-N
MW445.54 g/mol
LogP5.56
Rot. Bonds7

About N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide

N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide (PubChem CID 55892303) has the molecular formula C25H23N3O3S and a molecular weight of 445.54 g/mol. Its IUPAC name is N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide
PubChem CID55892303
Molecular FormulaC25H23N3O3S
Molecular Weight445.54 g/mol
Exact Mass445.15
IUPAC NameN-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide
SMILESCCN(C(=O)Cc1ccc(NC(=O)c2nc(-c3cccs3)oc2C)cc1)c1ccccc1
InChIInChI=1S/C25H23N3O3S/c1-3-28(20-8-5-4-6-9-20)22(29)16-18-11-13-19(14-12-18)26-24(30)23-17(2)31-25(27-23)21-10-7-15-32-21/h4-15H,3,16H2,1-2H3,(H,26,30)
InChIKeyGUWMAZCGZFYLPX-UHFFFAOYSA-N
XLogP5.56
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.54
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-2-[4-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]phenyl]-N-phenylacetamide
CID 52663048
N-[4-(2-amino-2-oxoethoxy)phenyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide
CID 55706690
N'-(4-ethylbenzoyl)-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carbohydrazide
CID 55704503
N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-2,5-dimethylthiophene-3-carboxamide
CID 55890640
N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
CID 60533242
5-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-2-thiophen-2-yl-1,3-oxazole-4-carboxamide
CID 55706816
N-(3-chloro-2,6-diethylphenyl)-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide
CID 55755678
ethyl 2-[2-[(5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carbonyl)amino]-1,3-thiazol-4-yl]acetate
CID 55719198
N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-3,4-dimethylbenzamide
CID 55891914
5-methyl-2-thiophen-2-yl-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1,3-oxazole-4-carboxamide
CID 55711744
N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide
CID 71938325
N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide
CID 56507040

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide (CID 55892303) is N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide is CCN(C(=O)Cc1ccc(NC(=O)c2nc(-c3cccs3)oc2C)cc1)c1ccccc1.
What is the InChIKey of N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide?
The InChIKey is GUWMAZCGZFYLPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O3S/c1-3-28(20-8-5-4-6-9-20)22(29)16-18-11-13-19(14-12-18)26-24(30)23-17(2)31-25(27-23)21-10-7-15-32-21/h4-15H,3,16H2,1-2H3,(H,26,30).
What are the key properties of N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide?
N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide has a molecular weight of 445.54 g/mol, XLogP of 5.56, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 55892303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).