N-(5-methyl-1,2-oxazol-3-yl)-3-[4-(2-methylphenyl)sulfonylpiperazin-1-yl]propanamide

C18H24N4O4S — CID 110422185

IUPACN-(5-methyl-1,2-oxazol-3-yl)-3-[4-(2-methylphenyl)sulfonylpiperazin-1-yl]propanamide
SMILESCc1cc(NC(=O)CCN2CCN(S(=O)(=O)c3ccccc3C)CC2)no1
InChIInChI=1S/C18H24N4O4S/c1-14-5-3-4-6-16(14)27(24,25)22-11-9-21(10-12-22)8-7-18(23)19-17-13-15(2)26-20-17/h3-6,13H,7-12H2,1-2H3,(H,19,20,23)
InChIKeyMANONUOBXPQCPF-UHFFFAOYSA-N
MW392.48 g/mol
LogP1.63
Rot. Bonds6

About N-(5-methyl-1,2-oxazol-3-yl)-3-[4-(2-methylphenyl)sulfonylpiperazin-1-yl]propanamide

N-(5-methyl-1,2-oxazol-3-yl)-3-[4-(2-methylphenyl)sulfonylpiperazin-1-yl]propanamide (PubChem CID 110422185) has the molecular formula C18H24N4O4S and a molecular weight of 392.48 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-3-[4-(2-methylphenyl)sulfonylpiperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-3-[4-(2-methylphenyl)sulfonylpiperazin-1-yl]propanamide
PubChem CID110422185
Molecular FormulaC18H24N4O4S
Molecular Weight392.48 g/mol
Exact Mass392.15
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-3-[4-(2-methylphenyl)sulfonylpiperazin-1-yl]propanamide
SMILESCc1cc(NC(=O)CCN2CCN(S(=O)(=O)c3ccccc3C)CC2)no1
InChIInChI=1S/C18H24N4O4S/c1-14-5-3-4-6-16(14)27(24,25)22-11-9-21(10-12-22)8-7-18(23)19-17-13-15(2)26-20-17/h3-6,13H,7-12H2,1-2H3,(H,19,20,23)
InChIKeyMANONUOBXPQCPF-UHFFFAOYSA-N
XLogP1.63
TPSA95.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-methyl-1,2-oxazol-3-yl)-3-[4-[(2-methylphenyl)methyl]piperazin-1-yl]propanamide
CID 30092641
N-(5-methyl-1,2-oxazol-3-yl)-3-(4-phenylpiperazin-1-yl)propanamide
CID 707006
2-[4-(5-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 55627407
N-(5-methyl-1,2-oxazol-3-yl)-3-[4-(2-phenoxyethyl)piperazin-1-yl]propanamide
CID 78792894
3-[4-[2-(2,3-dimethylanilino)-2-oxoethyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 30740971
N-(5-methyl-1,2-oxazol-3-yl)-3-[(2-methylphenyl)sulfonylamino]propanamide
CID 110370453
N-(5-methyl-1,2-oxazol-3-yl)-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide
CID 35799420
3-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 55370076
3-[4-(4-chlorophenyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 729690
N-(5-methyl-1,2-oxazol-3-yl)-3-[4-(2-nitrophenyl)piperazin-1-yl]propanamide
CID 38065563
2-[1-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]piperidin-4-yl]acetic acid
CID 79612210
3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 122134106

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-3-[4-(2-methylphenyl)sulfonylpiperazin-1-yl]propanamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-3-[4-(2-methylphenyl)sulfonylpiperazin-1-yl]propanamide (CID 110422185) is N-(5-methyl-1,2-oxazol-3-yl)-3-[4-(2-methylphenyl)sulfonylpiperazin-1-yl]propanamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-3-[4-(2-methylphenyl)sulfonylpiperazin-1-yl]propanamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-3-[4-(2-methylphenyl)sulfonylpiperazin-1-yl]propanamide is Cc1cc(NC(=O)CCN2CCN(S(=O)(=O)c3ccccc3C)CC2)no1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-3-[4-(2-methylphenyl)sulfonylpiperazin-1-yl]propanamide?
The InChIKey is MANONUOBXPQCPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O4S/c1-14-5-3-4-6-16(14)27(24,25)22-11-9-21(10-12-22)8-7-18(23)19-17-13-15(2)26-20-17/h3-6,13H,7-12H2,1-2H3,(H,19,20,23).
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-3-[4-(2-methylphenyl)sulfonylpiperazin-1-yl]propanamide?
N-(5-methyl-1,2-oxazol-3-yl)-3-[4-(2-methylphenyl)sulfonylpiperazin-1-yl]propanamide has a molecular weight of 392.48 g/mol, XLogP of 1.63, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2-oxazol-3-yl)-3-[4-(2-methylphenyl)sulfonylpiperazin-1-yl]propanamide is sourced from PubChem (CID 110422185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).