1-[2-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-2-oxoethyl]-N,N-dimethylpyrazole-4-sulfonamide

C17H21N5O4S — CID 155948615

IUPAC1-[2-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-2-oxoethyl]-N,N-dimethylpyrazole-4-sulfonamide
SMILESCc1cc(-n2c(C)cc(C(=O)Cn3cc(S(=O)(=O)N(C)C)cn3)c2C)no1
InChIInChI=1S/C17H21N5O4S/c1-11-6-15(13(3)22(11)17-7-12(2)26-19-17)16(23)10-21-9-14(8-18-21)27(24,25)20(4)5/h6-9H,10H2,1-5H3
InChIKeyQZTADFPZTRWFRR-UHFFFAOYSA-N
MW391.45 g/mol
LogP1.72
Rot. Bonds6

About 1-[2-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-2-oxoethyl]-N,N-dimethylpyrazole-4-sulfonamide

1-[2-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-2-oxoethyl]-N,N-dimethylpyrazole-4-sulfonamide (PubChem CID 155948615) has the molecular formula C17H21N5O4S and a molecular weight of 391.45 g/mol. Its IUPAC name is 1-[2-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-2-oxoethyl]-N,N-dimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-[2-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-2-oxoethyl]-N,N-dimethylpyrazole-4-sulfonamide
PubChem CID155948615
Molecular FormulaC17H21N5O4S
Molecular Weight391.45 g/mol
Exact Mass391.13
IUPAC Name1-[2-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-2-oxoethyl]-N,N-dimethylpyrazole-4-sulfonamide
SMILESCc1cc(-n2c(C)cc(C(=O)Cn3cc(S(=O)(=O)N(C)C)cn3)c2C)no1
InChIInChI=1S/C17H21N5O4S/c1-11-6-15(13(3)22(11)17-7-12(2)26-19-17)16(23)10-21-9-14(8-18-21)27(24,25)20(4)5/h6-9H,10H2,1-5H3
InChIKeyQZTADFPZTRWFRR-UHFFFAOYSA-N
XLogP1.72
TPSA103.23 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

1-[2-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-2-oxoethyl]pyrrolidine-2,5-dione
CID 7819803
1-[2-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-2-oxoethyl]-3-methylurea
CID 53498550
1-[2-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-2-oxoethyl]-3-propylimidazolidine-2,4,5-trione
CID 8626615
1-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-2-(3-hydroxy-3-methylpyrrolidin-1-yl)ethanone
CID 136512574
N,2,5-trimethyl-1-(5-methyl-1,2-oxazol-3-yl)-N-[(4-methylsulfanylphenyl)methyl]pyrrole-3-carboxamide
CID 30091933
N-cyclohexyl-N,2,5-trimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxamide
CID 86921369
ethyl 2-[2-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-2-oxoethyl]sulfanylacetate
CID 51072841
2-(4,6-diaminopyrimidin-2-yl)sulfanyl-1-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]ethanone
CID 2472039
[2-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-2-oxoethyl] 3-(dimethylamino)benzoate
CID 2518984
2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-1-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]ethanone
CID 37408150
2-(4-bromophenoxy)-1-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]ethanone
CID 7815687
1-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-2-(4-fluorophenyl)sulfanylethanone
CID 2672240

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-2-oxoethyl]-N,N-dimethylpyrazole-4-sulfonamide?
The IUPAC name of 1-[2-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-2-oxoethyl]-N,N-dimethylpyrazole-4-sulfonamide (CID 155948615) is 1-[2-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-2-oxoethyl]-N,N-dimethylpyrazole-4-sulfonamide.
What is the SMILES notation for 1-[2-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-2-oxoethyl]-N,N-dimethylpyrazole-4-sulfonamide?
The canonical SMILES for 1-[2-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-2-oxoethyl]-N,N-dimethylpyrazole-4-sulfonamide is Cc1cc(-n2c(C)cc(C(=O)Cn3cc(S(=O)(=O)N(C)C)cn3)c2C)no1.
What is the InChIKey of 1-[2-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-2-oxoethyl]-N,N-dimethylpyrazole-4-sulfonamide?
The InChIKey is QZTADFPZTRWFRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O4S/c1-11-6-15(13(3)22(11)17-7-12(2)26-19-17)16(23)10-21-9-14(8-18-21)27(24,25)20(4)5/h6-9H,10H2,1-5H3.
What are the key properties of 1-[2-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-2-oxoethyl]-N,N-dimethylpyrazole-4-sulfonamide?
1-[2-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-2-oxoethyl]-N,N-dimethylpyrazole-4-sulfonamide has a molecular weight of 391.45 g/mol, XLogP of 1.72, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-2-oxoethyl]-N,N-dimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 155948615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).