N-[(5-methyl-1,3-oxazol-2-yl)methyl]-N-[1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrrolidin-3-yl]acetamide

C17H24N4O2S — CID 71872531

IUPACN-[(5-methyl-1,3-oxazol-2-yl)methyl]-N-[1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrrolidin-3-yl]acetamide
SMILESCC(=O)N(Cc1ncc(C)o1)C1CCN(CCc2scnc2C)C1
InChIInChI=1S/C17H24N4O2S/c1-12-8-18-17(23-12)10-21(14(3)22)15-4-6-20(9-15)7-5-16-13(2)19-11-24-16/h8,11,15H,4-7,9-10H2,1-3H3
InChIKeyZMTXLZCNTGGOAC-UHFFFAOYSA-N
MW348.47 g/mol
LogP2.41
Rot. Bonds6

About N-[(5-methyl-1,3-oxazol-2-yl)methyl]-N-[1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrrolidin-3-yl]acetamide

N-[(5-methyl-1,3-oxazol-2-yl)methyl]-N-[1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrrolidin-3-yl]acetamide (PubChem CID 71872531) has the molecular formula C17H24N4O2S and a molecular weight of 348.47 g/mol. Its IUPAC name is N-[(5-methyl-1,3-oxazol-2-yl)methyl]-N-[1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(5-methyl-1,3-oxazol-2-yl)methyl]-N-[1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrrolidin-3-yl]acetamide
PubChem CID71872531
Molecular FormulaC17H24N4O2S
Molecular Weight348.47 g/mol
Exact Mass348.16
IUPAC NameN-[(5-methyl-1,3-oxazol-2-yl)methyl]-N-[1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrrolidin-3-yl]acetamide
SMILESCC(=O)N(Cc1ncc(C)o1)C1CCN(CCc2scnc2C)C1
InChIInChI=1S/C17H24N4O2S/c1-12-8-18-17(23-12)10-21(14(3)22)15-4-6-20(9-15)7-5-16-13(2)19-11-24-16/h8,11,15H,4-7,9-10H2,1-3H3
InChIKeyZMTXLZCNTGGOAC-UHFFFAOYSA-N
XLogP2.41
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1,3-oxazol-2-yl)methyl]-N-[1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrrolidin-3-yl]acetamide?
The IUPAC name of N-[(5-methyl-1,3-oxazol-2-yl)methyl]-N-[1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrrolidin-3-yl]acetamide (CID 71872531) is N-[(5-methyl-1,3-oxazol-2-yl)methyl]-N-[1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-[(5-methyl-1,3-oxazol-2-yl)methyl]-N-[1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrrolidin-3-yl]acetamide?
The canonical SMILES for N-[(5-methyl-1,3-oxazol-2-yl)methyl]-N-[1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrrolidin-3-yl]acetamide is CC(=O)N(Cc1ncc(C)o1)C1CCN(CCc2scnc2C)C1.
What is the InChIKey of N-[(5-methyl-1,3-oxazol-2-yl)methyl]-N-[1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrrolidin-3-yl]acetamide?
The InChIKey is ZMTXLZCNTGGOAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2S/c1-12-8-18-17(23-12)10-21(14(3)22)15-4-6-20(9-15)7-5-16-13(2)19-11-24-16/h8,11,15H,4-7,9-10H2,1-3H3.
What are the key properties of N-[(5-methyl-1,3-oxazol-2-yl)methyl]-N-[1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrrolidin-3-yl]acetamide?
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-N-[1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrrolidin-3-yl]acetamide has a molecular weight of 348.47 g/mol, XLogP of 2.41, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1,3-oxazol-2-yl)methyl]-N-[1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 71872531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).