N-[3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-1-(4-methoxyphenyl)-3-oxopropyl]acetamide

C21H28N4O6S — CID 45355134

IUPACN-[3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-1-(4-methoxyphenyl)-3-oxopropyl]acetamide
SMILESCOc1ccc(C(CC(=O)N2CCN(S(=O)(=O)c3c(C)noc3C)CC2)NC(C)=O)cc1
InChIInChI=1S/C21H28N4O6S/c1-14-21(15(2)31-23-14)32(28,29)25-11-9-24(10-12-25)20(27)13-19(22-16(3)26)17-5-7-18(30-4)8-6-17/h5-8,19H,9-13H2,1-4H3,(H,22,26)
InChIKeyGEUJTSBSTYOQTL-UHFFFAOYSA-N
MW464.54 g/mol
LogP1.40
Rot. Bonds7

About N-[3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-1-(4-methoxyphenyl)-3-oxopropyl]acetamide

N-[3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-1-(4-methoxyphenyl)-3-oxopropyl]acetamide (PubChem CID 45355134) has the molecular formula C21H28N4O6S and a molecular weight of 464.54 g/mol. Its IUPAC name is N-[3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-1-(4-methoxyphenyl)-3-oxopropyl]acetamide.

Molecular Properties

Compound NameN-[3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-1-(4-methoxyphenyl)-3-oxopropyl]acetamide
PubChem CID45355134
Molecular FormulaC21H28N4O6S
Molecular Weight464.54 g/mol
Exact Mass464.17
IUPAC NameN-[3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-1-(4-methoxyphenyl)-3-oxopropyl]acetamide
SMILESCOc1ccc(C(CC(=O)N2CCN(S(=O)(=O)c3c(C)noc3C)CC2)NC(C)=O)cc1
InChIInChI=1S/C21H28N4O6S/c1-14-21(15(2)31-23-14)32(28,29)25-11-9-24(10-12-25)20(27)13-19(22-16(3)26)17-5-7-18(30-4)8-6-17/h5-8,19H,9-13H2,1-4H3,(H,22,26)
InChIKeyGEUJTSBSTYOQTL-UHFFFAOYSA-N
XLogP1.40
TPSA122.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.54
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-amino-1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-3-methoxybutan-1-one;hydrochloride
CID 120587450
3-amino-1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]butan-1-one;hydrochloride
CID 119694733
3-(N-[2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-2-oxoethyl]-4-methoxyanilino)propanamide
CID 24568553
1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-2-[2-(4-methoxyphenyl)azepan-1-yl]ethanone
CID 24568529
N-[4-[2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-2-oxoethyl]phenyl]acetamide
CID 9151335
4-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole
CID 3828999
(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
N-[1-(4-methoxyphenyl)-3-[4-(4-methoxyphenyl)-1,4-diazepan-1-yl]-3-oxopropyl]acetamide
CID 55919317
1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]ethanone
CID 3345472
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-2-(4-methoxyphenyl)acetamide
CID 108559543
1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-2-(4-methylphenyl)sulfanylethanone
CID 9151130
4-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole
CID 17478178

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-1-(4-methoxyphenyl)-3-oxopropyl]acetamide?
The IUPAC name of N-[3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-1-(4-methoxyphenyl)-3-oxopropyl]acetamide (CID 45355134) is N-[3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-1-(4-methoxyphenyl)-3-oxopropyl]acetamide.
What is the SMILES notation for N-[3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-1-(4-methoxyphenyl)-3-oxopropyl]acetamide?
The canonical SMILES for N-[3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-1-(4-methoxyphenyl)-3-oxopropyl]acetamide is COc1ccc(C(CC(=O)N2CCN(S(=O)(=O)c3c(C)noc3C)CC2)NC(C)=O)cc1.
What is the InChIKey of N-[3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-1-(4-methoxyphenyl)-3-oxopropyl]acetamide?
The InChIKey is GEUJTSBSTYOQTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O6S/c1-14-21(15(2)31-23-14)32(28,29)25-11-9-24(10-12-25)20(27)13-19(22-16(3)26)17-5-7-18(30-4)8-6-17/h5-8,19H,9-13H2,1-4H3,(H,22,26).
What are the key properties of N-[3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-1-(4-methoxyphenyl)-3-oxopropyl]acetamide?
N-[3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-1-(4-methoxyphenyl)-3-oxopropyl]acetamide has a molecular weight of 464.54 g/mol, XLogP of 1.40, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-1-(4-methoxyphenyl)-3-oxopropyl]acetamide is sourced from PubChem (CID 45355134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).