3-(N-[2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-2-oxoethyl]-4-methoxyanilino)propanamide

C21H29N5O6S — CID 24568553

IUPAC3-(N-[2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-2-oxoethyl]-4-methoxyanilino)propanamide
SMILESCOc1ccc(N(CCC(N)=O)CC(=O)N2CCN(S(=O)(=O)c3c(C)noc3C)CC2)cc1
InChIInChI=1S/C21H29N5O6S/c1-15-21(16(2)32-23-15)33(29,30)26-12-10-24(11-13-26)20(28)14-25(9-8-19(22)27)17-4-6-18(31-3)7-5-17/h4-7H,8-14H2,1-3H3,(H2,22,27)
InChIKeyWIQGTEJLHBJGLR-UHFFFAOYSA-N
MW479.56 g/mol
LogP0.51
Rot. Bonds9

About 3-(N-[2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-2-oxoethyl]-4-methoxyanilino)propanamide

3-(N-[2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-2-oxoethyl]-4-methoxyanilino)propanamide (PubChem CID 24568553) has the molecular formula C21H29N5O6S and a molecular weight of 479.56 g/mol. Its IUPAC name is 3-(N-[2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-2-oxoethyl]-4-methoxyanilino)propanamide.

Molecular Properties

Compound Name3-(N-[2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-2-oxoethyl]-4-methoxyanilino)propanamide
PubChem CID24568553
Molecular FormulaC21H29N5O6S
Molecular Weight479.56 g/mol
Exact Mass479.18
IUPAC Name3-(N-[2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-2-oxoethyl]-4-methoxyanilino)propanamide
SMILESCOc1ccc(N(CCC(N)=O)CC(=O)N2CCN(S(=O)(=O)c3c(C)noc3C)CC2)cc1
InChIInChI=1S/C21H29N5O6S/c1-15-21(16(2)32-23-15)33(29,30)26-12-10-24(11-13-26)20(28)14-25(9-8-19(22)27)17-4-6-18(31-3)7-5-17/h4-7H,8-14H2,1-3H3,(H2,22,27)
InChIKeyWIQGTEJLHBJGLR-UHFFFAOYSA-N
XLogP0.51
TPSA139.28 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.56
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-[3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-1-(4-methoxyphenyl)-3-oxopropyl]acetamide
CID 45355134
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 8639159
ethyl 4-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-4-oxobutanoate
CID 9151213
1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-2-[2-(4-methoxyphenyl)azepan-1-yl]ethanone
CID 24568529
1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]butan-1-one
CID 17455988
4-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole
CID 3828999
3-[3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-3-oxopropyl]-7-methoxy-4-methylchromen-2-one
CID 33046217
1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-3-(4-methylphenyl)propan-1-one
CID 18121547
4-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole
CID 17478178
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-N-(4-methoxyphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 20858866
(5S)-3-[2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-2-oxoethyl]-5-(6-methoxynaphthalen-2-yl)-5-methylimidazolidine-2,4-dione
CID 97353864
4-amino-1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-3-methoxybutan-1-one;hydrochloride
CID 120587450

Frequently Asked Questions

What is the IUPAC name of 3-(N-[2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-2-oxoethyl]-4-methoxyanilino)propanamide?
The IUPAC name of 3-(N-[2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-2-oxoethyl]-4-methoxyanilino)propanamide (CID 24568553) is 3-(N-[2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-2-oxoethyl]-4-methoxyanilino)propanamide.
What is the SMILES notation for 3-(N-[2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-2-oxoethyl]-4-methoxyanilino)propanamide?
The canonical SMILES for 3-(N-[2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-2-oxoethyl]-4-methoxyanilino)propanamide is COc1ccc(N(CCC(N)=O)CC(=O)N2CCN(S(=O)(=O)c3c(C)noc3C)CC2)cc1.
What is the InChIKey of 3-(N-[2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-2-oxoethyl]-4-methoxyanilino)propanamide?
The InChIKey is WIQGTEJLHBJGLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O6S/c1-15-21(16(2)32-23-15)33(29,30)26-12-10-24(11-13-26)20(28)14-25(9-8-19(22)27)17-4-6-18(31-3)7-5-17/h4-7H,8-14H2,1-3H3,(H2,22,27).
What are the key properties of 3-(N-[2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-2-oxoethyl]-4-methoxyanilino)propanamide?
3-(N-[2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-2-oxoethyl]-4-methoxyanilino)propanamide has a molecular weight of 479.56 g/mol, XLogP of 0.51, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-[2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-2-oxoethyl]-4-methoxyanilino)propanamide is sourced from PubChem (CID 24568553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).