N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-[1-(5-methyl-2-oxooxolan-3-yl)pyrrolidin-3-yl]acetamide

C15H22N4O4 — CID 71872474

IUPACN-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-[1-(5-methyl-2-oxooxolan-3-yl)pyrrolidin-3-yl]acetamide
SMILESCC(=O)N(Cc1noc(C)n1)C1CCN(C2CC(C)OC2=O)C1
InChIInChI=1S/C15H22N4O4/c1-9-6-13(15(21)22-9)18-5-4-12(7-18)19(11(3)20)8-14-16-10(2)23-17-14/h9,12-13H,4-8H2,1-3H3
InChIKeySMHVSYLVBRZBOH-UHFFFAOYSA-N
MW322.37 g/mol
LogP0.50
Rot. Bonds4

About N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-[1-(5-methyl-2-oxooxolan-3-yl)pyrrolidin-3-yl]acetamide

N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-[1-(5-methyl-2-oxooxolan-3-yl)pyrrolidin-3-yl]acetamide (PubChem CID 71872474) has the molecular formula C15H22N4O4 and a molecular weight of 322.37 g/mol. Its IUPAC name is N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-[1-(5-methyl-2-oxooxolan-3-yl)pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-[1-(5-methyl-2-oxooxolan-3-yl)pyrrolidin-3-yl]acetamide
PubChem CID71872474
Molecular FormulaC15H22N4O4
Molecular Weight322.37 g/mol
Exact Mass322.16
IUPAC NameN-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-[1-(5-methyl-2-oxooxolan-3-yl)pyrrolidin-3-yl]acetamide
SMILESCC(=O)N(Cc1noc(C)n1)C1CCN(C2CC(C)OC2=O)C1
InChIInChI=1S/C15H22N4O4/c1-9-6-13(15(21)22-9)18-5-4-12(7-18)19(11(3)20)8-14-16-10(2)23-17-14/h9,12-13H,4-8H2,1-3H3
InChIKeySMHVSYLVBRZBOH-UHFFFAOYSA-N
XLogP0.50
TPSA88.77 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(3R)-1-[(3R,5R)-5-methyl-2-oxooxolan-3-yl]pyrrolidin-3-yl]acetamide
CID 100858433
(3R,5R)-3-[(3S)-3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]-5-methyloxolan-2-one
CID 97217411
2-[3-[acetyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]-N-cyclopropyl-N-methylacetamide
CID 71872472
N-[(3S)-1-(cyclopentylmethyl)pyrrolidin-3-yl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]acetamide
CID 97074201
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(3S)-1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]acetamide
CID 97008816
N-[1-(2-ethylsulfonylethyl)pyrrolidin-3-yl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]acetamide
CID 71872498
N-[1-(2-cyclopentylethyl)pyrrolidin-3-yl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]acetamide
CID 154749222
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-[1-(3-methylsulfanylpropyl)pyrrolidin-3-yl]acetamide
CID 71872481
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-yl]acetamide
CID 71928330
3-[(3R)-3-[acetyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]-N-ethylpropanamide
CID 97217488
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(3R)-1-[(1S)-1-phenylpropyl]pyrrolidin-3-yl]acetamide
CID 100870478
N-[1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-yl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]acetamide
CID 71872485

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-[1-(5-methyl-2-oxooxolan-3-yl)pyrrolidin-3-yl]acetamide?
The IUPAC name of N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-[1-(5-methyl-2-oxooxolan-3-yl)pyrrolidin-3-yl]acetamide (CID 71872474) is N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-[1-(5-methyl-2-oxooxolan-3-yl)pyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-[1-(5-methyl-2-oxooxolan-3-yl)pyrrolidin-3-yl]acetamide?
The canonical SMILES for N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-[1-(5-methyl-2-oxooxolan-3-yl)pyrrolidin-3-yl]acetamide is CC(=O)N(Cc1noc(C)n1)C1CCN(C2CC(C)OC2=O)C1.
What is the InChIKey of N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-[1-(5-methyl-2-oxooxolan-3-yl)pyrrolidin-3-yl]acetamide?
The InChIKey is SMHVSYLVBRZBOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O4/c1-9-6-13(15(21)22-9)18-5-4-12(7-18)19(11(3)20)8-14-16-10(2)23-17-14/h9,12-13H,4-8H2,1-3H3.
What are the key properties of N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-[1-(5-methyl-2-oxooxolan-3-yl)pyrrolidin-3-yl]acetamide?
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-[1-(5-methyl-2-oxooxolan-3-yl)pyrrolidin-3-yl]acetamide has a molecular weight of 322.37 g/mol, XLogP of 0.50, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-[1-(5-methyl-2-oxooxolan-3-yl)pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 71872474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).