N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-[1-(2-methylsulfonylethyl)pyrrolidin-3-yl]acetamide

C15H25N3O4S — CID 71928346

IUPACN-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-[1-(2-methylsulfonylethyl)pyrrolidin-3-yl]acetamide
SMILESCCc1cnc(CN(C(C)=O)C2CCN(CCS(C)(=O)=O)C2)o1
InChIInChI=1S/C15H25N3O4S/c1-4-14-9-16-15(22-14)11-18(12(2)19)13-5-6-17(10-13)7-8-23(3,20)21/h9,13H,4-8,10-11H2,1-3H3
InChIKeyPOXPJGHJDIHLSI-UHFFFAOYSA-N
MW343.45 g/mol
LogP0.70
Rot. Bonds7

About N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-[1-(2-methylsulfonylethyl)pyrrolidin-3-yl]acetamide

N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-[1-(2-methylsulfonylethyl)pyrrolidin-3-yl]acetamide (PubChem CID 71928346) has the molecular formula C15H25N3O4S and a molecular weight of 343.45 g/mol. Its IUPAC name is N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-[1-(2-methylsulfonylethyl)pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-[1-(2-methylsulfonylethyl)pyrrolidin-3-yl]acetamide
PubChem CID71928346
Molecular FormulaC15H25N3O4S
Molecular Weight343.45 g/mol
Exact Mass343.16
IUPAC NameN-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-[1-(2-methylsulfonylethyl)pyrrolidin-3-yl]acetamide
SMILESCCc1cnc(CN(C(C)=O)C2CCN(CCS(C)(=O)=O)C2)o1
InChIInChI=1S/C15H25N3O4S/c1-4-14-9-16-15(22-14)11-18(12(2)19)13-5-6-17(10-13)7-8-23(3,20)21/h9,13H,4-8,10-11H2,1-3H3
InChIKeyPOXPJGHJDIHLSI-UHFFFAOYSA-N
XLogP0.70
TPSA83.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-[1-(2-methylsulfonylethyl)pyrrolidin-3-yl]acetamide?
The IUPAC name of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-[1-(2-methylsulfonylethyl)pyrrolidin-3-yl]acetamide (CID 71928346) is N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-[1-(2-methylsulfonylethyl)pyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-[1-(2-methylsulfonylethyl)pyrrolidin-3-yl]acetamide?
The canonical SMILES for N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-[1-(2-methylsulfonylethyl)pyrrolidin-3-yl]acetamide is CCc1cnc(CN(C(C)=O)C2CCN(CCS(C)(=O)=O)C2)o1.
What is the InChIKey of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-[1-(2-methylsulfonylethyl)pyrrolidin-3-yl]acetamide?
The InChIKey is POXPJGHJDIHLSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O4S/c1-4-14-9-16-15(22-14)11-18(12(2)19)13-5-6-17(10-13)7-8-23(3,20)21/h9,13H,4-8,10-11H2,1-3H3.
What are the key properties of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-[1-(2-methylsulfonylethyl)pyrrolidin-3-yl]acetamide?
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-[1-(2-methylsulfonylethyl)pyrrolidin-3-yl]acetamide has a molecular weight of 343.45 g/mol, XLogP of 0.70, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-[1-(2-methylsulfonylethyl)pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 71928346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).