N-[4-(4-methylsulfonylpiperazine-1-carbonyl)-1,3-oxazol-2-yl]benzamide

C16H18N4O5S — CID 52907912

IUPACN-[4-(4-methylsulfonylpiperazine-1-carbonyl)-1,3-oxazol-2-yl]benzamide
SMILESCS(=O)(=O)N1CCN(C(=O)c2coc(NC(=O)c3ccccc3)n2)CC1
InChIInChI=1S/C16H18N4O5S/c1-26(23,24)20-9-7-19(8-10-20)15(22)13-11-25-16(17-13)18-14(21)12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3,(H,17,18,21)
InChIKeyNDVZNRHPFMLRNK-UHFFFAOYSA-N
MW378.41 g/mol
LogP0.64
Rot. Bonds4

About N-[4-(4-methylsulfonylpiperazine-1-carbonyl)-1,3-oxazol-2-yl]benzamide

N-[4-(4-methylsulfonylpiperazine-1-carbonyl)-1,3-oxazol-2-yl]benzamide (PubChem CID 52907912) has the molecular formula C16H18N4O5S and a molecular weight of 378.41 g/mol. Its IUPAC name is N-[4-(4-methylsulfonylpiperazine-1-carbonyl)-1,3-oxazol-2-yl]benzamide.

Molecular Properties

Compound NameN-[4-(4-methylsulfonylpiperazine-1-carbonyl)-1,3-oxazol-2-yl]benzamide
PubChem CID52907912
Molecular FormulaC16H18N4O5S
Molecular Weight378.41 g/mol
Exact Mass378.10
IUPAC NameN-[4-(4-methylsulfonylpiperazine-1-carbonyl)-1,3-oxazol-2-yl]benzamide
SMILESCS(=O)(=O)N1CCN(C(=O)c2coc(NC(=O)c3ccccc3)n2)CC1
InChIInChI=1S/C16H18N4O5S/c1-26(23,24)20-9-7-19(8-10-20)15(22)13-11-25-16(17-13)18-14(21)12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3,(H,17,18,21)
InChIKeyNDVZNRHPFMLRNK-UHFFFAOYSA-N
XLogP0.64
TPSA112.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.41
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[4-(4-methylsulfonylpiperazine-1-carbonyl)-1,3-oxazol-2-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methylsulfonylpiperazine-1-carbonyl)-1,3-oxazol-2-yl]benzamide?
The IUPAC name of N-[4-(4-methylsulfonylpiperazine-1-carbonyl)-1,3-oxazol-2-yl]benzamide (CID 52907912) is N-[4-(4-methylsulfonylpiperazine-1-carbonyl)-1,3-oxazol-2-yl]benzamide.
What is the SMILES notation for N-[4-(4-methylsulfonylpiperazine-1-carbonyl)-1,3-oxazol-2-yl]benzamide?
The canonical SMILES for N-[4-(4-methylsulfonylpiperazine-1-carbonyl)-1,3-oxazol-2-yl]benzamide is CS(=O)(=O)N1CCN(C(=O)c2coc(NC(=O)c3ccccc3)n2)CC1.
What is the InChIKey of N-[4-(4-methylsulfonylpiperazine-1-carbonyl)-1,3-oxazol-2-yl]benzamide?
The InChIKey is NDVZNRHPFMLRNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O5S/c1-26(23,24)20-9-7-19(8-10-20)15(22)13-11-25-16(17-13)18-14(21)12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3,(H,17,18,21).
What are the key properties of N-[4-(4-methylsulfonylpiperazine-1-carbonyl)-1,3-oxazol-2-yl]benzamide?
N-[4-(4-methylsulfonylpiperazine-1-carbonyl)-1,3-oxazol-2-yl]benzamide has a molecular weight of 378.41 g/mol, XLogP of 0.64, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methylsulfonylpiperazine-1-carbonyl)-1,3-oxazol-2-yl]benzamide is sourced from PubChem (CID 52907912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).