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

C14H24N4O4S — CID 75462334

IUPAC2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]acetamide
SMILESCc1noc(C)c1CC(=O)NCCN1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C14H24N4O4S/c1-11-13(12(2)22-16-11)10-14(19)15-4-5-17-6-8-18(9-7-17)23(3,20)21/h4-10H2,1-3H3,(H,15,19)
InChIKeyMBPAMYBUCWXQNY-UHFFFAOYSA-N
MW344.44 g/mol
LogP-0.47
Rot. Bonds6

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

2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]acetamide (PubChem CID 75462334) has the molecular formula C14H24N4O4S and a molecular weight of 344.44 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]acetamide
PubChem CID75462334
Molecular FormulaC14H24N4O4S
Molecular Weight344.44 g/mol
Exact Mass344.15
IUPAC Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]acetamide
SMILESCc1noc(C)c1CC(=O)NCCN1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C14H24N4O4S/c1-11-13(12(2)22-16-11)10-14(19)15-4-5-17-6-8-18(9-7-17)23(3,20)21/h4-10H2,1-3H3,(H,15,19)
InChIKeyMBPAMYBUCWXQNY-UHFFFAOYSA-N
XLogP-0.47
TPSA95.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 5-0.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(3,5-dimethylisoxazol-4-yl)sulfonyl]-N-[2-(4-methylpiperidin-1-yl)ethyl]piperidine-4-carboxamide
CID 3244454
5-methyl-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]-1,2-oxazole-3-carboxamide
CID 45505521
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-methyl-2-morpholin-4-ylbutyl)acetamide
CID 45805111
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-methyl-2-morpholin-4-ylpentyl)acetamide
CID 45805291
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-morpholin-4-ylpropyl)acetamide
CID 45812733
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-pyrrolidin-1-ylbutyl)acetamide
CID 45887235
1-[(3,5-Dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-(1-methylsulfonylpiperidin-3-yl)urea
CID 47766190
3,5-dimethyl-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]-1,2-oxazole-4-carboxamide
CID 47830217
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
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(methanesulfonamido)-N-methylcyclohexane-1-carboxamide
CID 48178081
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-methylsulfonylpiperidine-2-carboxamide
CID 75460886

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]acetamide?
The IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]acetamide (CID 75462334) is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]acetamide.
What is the SMILES notation for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]acetamide?
The canonical SMILES for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]acetamide is Cc1noc(C)c1CC(=O)NCCN1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]acetamide?
The InChIKey is MBPAMYBUCWXQNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O4S/c1-11-13(12(2)22-16-11)10-14(19)15-4-5-17-6-8-18(9-7-17)23(3,20)21/h4-10H2,1-3H3,(H,15,19).
What are the key properties of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]acetamide?
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]acetamide has a molecular weight of 344.44 g/mol, XLogP of -0.47, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]acetamide is sourced from PubChem (CID 75462334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).