5-bromo-N-[2-[[3-(4-ethylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]thiophene-2-carboxamide

C18H16BrN3O3S — CID 56544732

IUPAC5-bromo-N-[2-[[3-(4-ethylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]thiophene-2-carboxamide
SMILESCCc1ccc(-c2cc(NC(=O)CNC(=O)c3ccc(Br)s3)on2)cc1
InChIInChI=1S/C18H16BrN3O3S/c1-2-11-3-5-12(6-4-11)13-9-17(25-22-13)21-16(23)10-20-18(24)14-7-8-15(19)26-14/h3-9H,2,10H2,1H3,(H,20,24)(H,21,23)
InChIKeyOLJNRCJEYNAYFZ-UHFFFAOYSA-N
MW434.32 g/mol
LogP4.10
Rot. Bonds6

About 5-bromo-N-[2-[[3-(4-ethylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]thiophene-2-carboxamide

5-bromo-N-[2-[[3-(4-ethylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]thiophene-2-carboxamide (PubChem CID 56544732) has the molecular formula C18H16BrN3O3S and a molecular weight of 434.32 g/mol. Its IUPAC name is 5-bromo-N-[2-[[3-(4-ethylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[2-[[3-(4-ethylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]thiophene-2-carboxamide
PubChem CID56544732
Molecular FormulaC18H16BrN3O3S
Molecular Weight434.32 g/mol
Exact Mass433.01
IUPAC Name5-bromo-N-[2-[[3-(4-ethylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]thiophene-2-carboxamide
SMILESCCc1ccc(-c2cc(NC(=O)CNC(=O)c3ccc(Br)s3)on2)cc1
InChIInChI=1S/C18H16BrN3O3S/c1-2-11-3-5-12(6-4-11)13-9-17(25-22-13)21-16(23)10-20-18(24)14-7-8-15(19)26-14/h3-9H,2,10H2,1H3,(H,20,24)(H,21,23)
InChIKeyOLJNRCJEYNAYFZ-UHFFFAOYSA-N
XLogP4.10
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.32
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-bromo-N-[2-[[3-(4-ethylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]thiophene-2-carboxamide with MolForge

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Related Compounds

N-[2-[[3-(4-ethylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]-3,4-dimethylbenzamide
CID 56544921
N-[2-[[3-(4-ethylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 56544823
5-bromo-N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-3-methylfuran-2-carboxamide
CID 56570434
N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetamide
CID 56544891
N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide
CID 56530199
2-(4-cyanoanilino)-N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]acetamide
CID 56569907
[2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate
CID 7519386
3,5-diacetamido-N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]benzamide
CID 56544955
N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-2,5-difluorobenzamide
CID 56569806
4-cyano-N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]benzamide
CID 56529985
[2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl] 5-chlorothiophene-2-carboxylate
CID 7519289
2-(2,4-difluorophenoxy)-N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]acetamide
CID 56530159

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-[[3-(4-ethylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]thiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-[2-[[3-(4-ethylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]thiophene-2-carboxamide (CID 56544732) is 5-bromo-N-[2-[[3-(4-ethylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[2-[[3-(4-ethylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]thiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-[2-[[3-(4-ethylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]thiophene-2-carboxamide is CCc1ccc(-c2cc(NC(=O)CNC(=O)c3ccc(Br)s3)on2)cc1.
What is the InChIKey of 5-bromo-N-[2-[[3-(4-ethylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]thiophene-2-carboxamide?
The InChIKey is OLJNRCJEYNAYFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrN3O3S/c1-2-11-3-5-12(6-4-11)13-9-17(25-22-13)21-16(23)10-20-18(24)14-7-8-15(19)26-14/h3-9H,2,10H2,1H3,(H,20,24)(H,21,23).
What are the key properties of 5-bromo-N-[2-[[3-(4-ethylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]thiophene-2-carboxamide?
5-bromo-N-[2-[[3-(4-ethylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]thiophene-2-carboxamide has a molecular weight of 434.32 g/mol, XLogP of 4.10, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-[[3-(4-ethylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]thiophene-2-carboxamide is sourced from PubChem (CID 56544732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).