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

C13H22N4O4S — CID 47830217

IUPAC3,5-dimethyl-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)NCCN1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C13H22N4O4S/c1-10-12(11(2)21-15-10)13(18)14-4-5-16-6-8-17(9-7-16)22(3,19)20/h4-9H2,1-3H3,(H,14,18)
InChIKeyLUGVHRIVPMJIRE-UHFFFAOYSA-N
MW330.41 g/mol
LogP-0.40
Rot. Bonds5

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

3,5-dimethyl-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]-1,2-oxazole-4-carboxamide (PubChem CID 47830217) has the molecular formula C13H22N4O4S and a molecular weight of 330.41 g/mol. Its IUPAC name is 3,5-dimethyl-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]-1,2-oxazole-4-carboxamide
PubChem CID47830217
Molecular FormulaC13H22N4O4S
Molecular Weight330.41 g/mol
Exact Mass330.14
IUPAC Name3,5-dimethyl-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)NCCN1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C13H22N4O4S/c1-10-12(11(2)21-15-10)13(18)14-4-5-16-6-8-17(9-7-16)22(3,19)20/h4-9H2,1-3H3,(H,14,18)
InChIKeyLUGVHRIVPMJIRE-UHFFFAOYSA-N
XLogP-0.40
TPSA95.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 5-0.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 9506625
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 9465685
1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-3-methyl-N-propylpiperidine-3-carboxamide
CID 46942636
3,5-dimethyl-N-[3-(2-oxo-1-pyrrolidinyl)propyl]-4-isoxazolecarboxamide
CID 2225560
N-(2-(Dimethylamino)ethyl)-3-ethyl-5-methylisoxazole-4-carboxamide
CID 1245014
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 24687252
3-methyl-N-[3-(4-methylpiperidin-1-yl)propyl]-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 47010153
3,5-dimethyl-N-(2-morpholin-4-ylethyl)-1,2-oxazole-4-carboxamide
CID 47110196
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-propylpiperazine-1-carboxamide
CID 47278907
1-[(3,5-Dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-(1-methylsulfonylpiperidin-3-yl)urea
CID 47766190
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-(methanesulfonamido)piperidine-1-carboxamide
CID 47862367
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(methanesulfonamido)cyclohexane-1-carboxamide
CID 47865915

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]-1,2-oxazole-4-carboxamide?
The IUPAC name of 3,5-dimethyl-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]-1,2-oxazole-4-carboxamide (CID 47830217) is 3,5-dimethyl-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3,5-dimethyl-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3,5-dimethyl-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]-1,2-oxazole-4-carboxamide is Cc1noc(C)c1C(=O)NCCN1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of 3,5-dimethyl-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]-1,2-oxazole-4-carboxamide?
The InChIKey is LUGVHRIVPMJIRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O4S/c1-10-12(11(2)21-15-10)13(18)14-4-5-16-6-8-17(9-7-16)22(3,19)20/h4-9H2,1-3H3,(H,14,18).
What are the key properties of 3,5-dimethyl-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]-1,2-oxazole-4-carboxamide?
3,5-dimethyl-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]-1,2-oxazole-4-carboxamide has a molecular weight of 330.41 g/mol, XLogP of -0.40, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 47830217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).