N-methyl-4-[5-methyl-4-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3-oxazol-2-yl]benzamide

C18H24N4O4S — CID 22577767

IUPACN-methyl-4-[5-methyl-4-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3-oxazol-2-yl]benzamide
SMILESCNC(=O)c1ccc(-c2nc(CN3CCN(S(C)(=O)=O)CC3)c(C)o2)cc1
InChIInChI=1S/C18H24N4O4S/c1-13-16(12-21-8-10-22(11-9-21)27(3,24)25)20-18(26-13)15-6-4-14(5-7-15)17(23)19-2/h4-7H,8-12H2,1-3H3,(H,19,23)
InChIKeyCINAFVLLWQBQDU-UHFFFAOYSA-N
MW392.48 g/mol
LogP1.09
Rot. Bonds5

About N-methyl-4-[5-methyl-4-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3-oxazol-2-yl]benzamide

N-methyl-4-[5-methyl-4-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3-oxazol-2-yl]benzamide (PubChem CID 22577767) has the molecular formula C18H24N4O4S and a molecular weight of 392.48 g/mol. Its IUPAC name is N-methyl-4-[5-methyl-4-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3-oxazol-2-yl]benzamide.

Molecular Properties

Compound NameN-methyl-4-[5-methyl-4-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3-oxazol-2-yl]benzamide
PubChem CID22577767
Molecular FormulaC18H24N4O4S
Molecular Weight392.48 g/mol
Exact Mass392.15
IUPAC NameN-methyl-4-[5-methyl-4-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3-oxazol-2-yl]benzamide
SMILESCNC(=O)c1ccc(-c2nc(CN3CCN(S(C)(=O)=O)CC3)c(C)o2)cc1
InChIInChI=1S/C18H24N4O4S/c1-13-16(12-21-8-10-22(11-9-21)27(3,24)25)20-18(26-13)15-6-4-14(5-7-15)17(23)19-2/h4-7H,8-12H2,1-3H3,(H,19,23)
InChIKeyCINAFVLLWQBQDU-UHFFFAOYSA-N
XLogP1.09
TPSA95.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[5-methyl-4-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3-oxazol-2-yl]benzamide?
The IUPAC name of N-methyl-4-[5-methyl-4-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3-oxazol-2-yl]benzamide (CID 22577767) is N-methyl-4-[5-methyl-4-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3-oxazol-2-yl]benzamide.
What is the SMILES notation for N-methyl-4-[5-methyl-4-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3-oxazol-2-yl]benzamide?
The canonical SMILES for N-methyl-4-[5-methyl-4-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3-oxazol-2-yl]benzamide is CNC(=O)c1ccc(-c2nc(CN3CCN(S(C)(=O)=O)CC3)c(C)o2)cc1.
What is the InChIKey of N-methyl-4-[5-methyl-4-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3-oxazol-2-yl]benzamide?
The InChIKey is CINAFVLLWQBQDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O4S/c1-13-16(12-21-8-10-22(11-9-21)27(3,24)25)20-18(26-13)15-6-4-14(5-7-15)17(23)19-2/h4-7H,8-12H2,1-3H3,(H,19,23).
What are the key properties of N-methyl-4-[5-methyl-4-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3-oxazol-2-yl]benzamide?
N-methyl-4-[5-methyl-4-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3-oxazol-2-yl]benzamide has a molecular weight of 392.48 g/mol, XLogP of 1.09, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[5-methyl-4-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3-oxazol-2-yl]benzamide is sourced from PubChem (CID 22577767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).