5-methyl-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]-1,2-oxazole-3-carboxamide;hydrochloride

C12H21ClN4O4S — CID 71782847

IUPAC5-methyl-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]-1,2-oxazole-3-carboxamide;hydrochloride
SMILESCc1cc(C(=O)NCCN2CCN(S(C)(=O)=O)CC2)no1.Cl
InChIInChI=1S/C12H20N4O4S.ClH/c1-10-9-11(14-20-10)12(17)13-3-4-15-5-7-16(8-6-15)21(2,18)19;/h9H,3-8H2,1-2H3,(H,13,17);1H
InChIKeySBGDUADZINZNGX-UHFFFAOYSA-N
MW352.84 g/mol
LogP-0.29
Rot. Bonds5

About 5-methyl-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]-1,2-oxazole-3-carboxamide;hydrochloride

5-methyl-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]-1,2-oxazole-3-carboxamide;hydrochloride (PubChem CID 71782847) has the molecular formula C12H21ClN4O4S and a molecular weight of 352.84 g/mol. Its IUPAC name is 5-methyl-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]-1,2-oxazole-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name5-methyl-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]-1,2-oxazole-3-carboxamide;hydrochloride
PubChem CID71782847
Molecular FormulaC12H21ClN4O4S
Molecular Weight352.84 g/mol
Exact Mass352.10
IUPAC Name5-methyl-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]-1,2-oxazole-3-carboxamide;hydrochloride
SMILESCc1cc(C(=O)NCCN2CCN(S(C)(=O)=O)CC2)no1.Cl
InChIInChI=1S/C12H20N4O4S.ClH/c1-10-9-11(14-20-10)12(17)13-3-4-15-5-7-16(8-6-15)21(2,18)19;/h9H,3-8H2,1-2H3,(H,13,17);1H
InChIKeySBGDUADZINZNGX-UHFFFAOYSA-N
XLogP-0.29
TPSA95.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.84
LogP ≤ 5-0.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]-1,2-oxazole-3-carboxamide;hydrochloride?
The IUPAC name of 5-methyl-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]-1,2-oxazole-3-carboxamide;hydrochloride (CID 71782847) is 5-methyl-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]-1,2-oxazole-3-carboxamide;hydrochloride.
What is the SMILES notation for 5-methyl-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]-1,2-oxazole-3-carboxamide;hydrochloride?
The canonical SMILES for 5-methyl-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]-1,2-oxazole-3-carboxamide;hydrochloride is Cc1cc(C(=O)NCCN2CCN(S(C)(=O)=O)CC2)no1.Cl.
What is the InChIKey of 5-methyl-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]-1,2-oxazole-3-carboxamide;hydrochloride?
The InChIKey is SBGDUADZINZNGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O4S.ClH/c1-10-9-11(14-20-10)12(17)13-3-4-15-5-7-16(8-6-15)21(2,18)19;/h9H,3-8H2,1-2H3,(H,13,17);1H.
What are the key properties of 5-methyl-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]-1,2-oxazole-3-carboxamide;hydrochloride?
5-methyl-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]-1,2-oxazole-3-carboxamide;hydrochloride has a molecular weight of 352.84 g/mol, XLogP of -0.29, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]-1,2-oxazole-3-carboxamide;hydrochloride is sourced from PubChem (CID 71782847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).