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

C18H28N4O3 — CID 129490363

IUPACN-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(3R)-1-[[(2R)-oxan-2-yl]methyl]pyrrolidin-3-yl]acetamide
SMILESCC(=O)N(Cc1noc(C2CC2)n1)[C@@H]1CCN(C[C@H]2CCCCO2)C1
InChIInChI=1S/C18H28N4O3/c1-13(23)22(12-17-19-18(25-20-17)14-5-6-14)15-7-8-21(10-15)11-16-4-2-3-9-24-16/h14-16H,2-12H2,1H3/t15-,16-/m1/s1
InChIKeyHNUDPMFWMPTRRK-HZPDHXFCSA-N
MW348.45 g/mol
LogP1.94
Rot. Bonds6

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

N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(3R)-1-[[(2R)-oxan-2-yl]methyl]pyrrolidin-3-yl]acetamide (PubChem CID 129490363) has the molecular formula C18H28N4O3 and a molecular weight of 348.45 g/mol. Its IUPAC name is N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(3R)-1-[[(2R)-oxan-2-yl]methyl]pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(3R)-1-[[(2R)-oxan-2-yl]methyl]pyrrolidin-3-yl]acetamide
PubChem CID129490363
Molecular FormulaC18H28N4O3
Molecular Weight348.45 g/mol
Exact Mass348.22
IUPAC NameN-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(3R)-1-[[(2R)-oxan-2-yl]methyl]pyrrolidin-3-yl]acetamide
SMILESCC(=O)N(Cc1noc(C2CC2)n1)[C@@H]1CCN(C[C@H]2CCCCO2)C1
InChIInChI=1S/C18H28N4O3/c1-13(23)22(12-17-19-18(25-20-17)14-5-6-14)15-7-8-21(10-15)11-16-4-2-3-9-24-16/h14-16H,2-12H2,1H3/t15-,16-/m1/s1
InChIKeyHNUDPMFWMPTRRK-HZPDHXFCSA-N
XLogP1.94
TPSA71.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(3S)-1-[[(2S)-oxan-2-yl]methyl]pyrrolidin-3-yl]acetamide
CID 97092898
N-[(3S)-1-[[(2R)-oxolan-2-yl]methyl]pyrrolidin-3-yl]-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]acetamide
CID 129490622
N-[(3S)-1-(cyclopentylmethyl)pyrrolidin-3-yl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]acetamide
CID 97074201
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
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-[(3S)-1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]acetamide
CID 97008816
N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(3S)-1-[[(3S)-oxolan-3-yl]methyl]pyrrolidin-3-yl]acetamide
CID 97059779
N-[1-(2-ethylsulfonylethyl)pyrrolidin-3-yl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]acetamide
CID 71872498
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
2-[3-[acetyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]-N-cyclopropyl-N-methylacetamide
CID 71872472
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-[1-(3-methylsulfanylpropyl)pyrrolidin-3-yl]acetamide
CID 71872481
1-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-2-(oxan-2-ylmethoxy)ethanone
CID 91832507

Frequently Asked Questions

What is the IUPAC name of N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(3R)-1-[[(2R)-oxan-2-yl]methyl]pyrrolidin-3-yl]acetamide?
The IUPAC name of N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(3R)-1-[[(2R)-oxan-2-yl]methyl]pyrrolidin-3-yl]acetamide (CID 129490363) is N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(3R)-1-[[(2R)-oxan-2-yl]methyl]pyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(3R)-1-[[(2R)-oxan-2-yl]methyl]pyrrolidin-3-yl]acetamide?
The canonical SMILES for N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(3R)-1-[[(2R)-oxan-2-yl]methyl]pyrrolidin-3-yl]acetamide is CC(=O)N(Cc1noc(C2CC2)n1)[C@@H]1CCN(C[C@H]2CCCCO2)C1.
What is the InChIKey of N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(3R)-1-[[(2R)-oxan-2-yl]methyl]pyrrolidin-3-yl]acetamide?
The InChIKey is HNUDPMFWMPTRRK-HZPDHXFCSA-N. The full InChI is InChI=1S/C18H28N4O3/c1-13(23)22(12-17-19-18(25-20-17)14-5-6-14)15-7-8-21(10-15)11-16-4-2-3-9-24-16/h14-16H,2-12H2,1H3/t15-,16-/m1/s1.
What are the key properties of N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(3R)-1-[[(2R)-oxan-2-yl]methyl]pyrrolidin-3-yl]acetamide?
N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(3R)-1-[[(2R)-oxan-2-yl]methyl]pyrrolidin-3-yl]acetamide has a molecular weight of 348.45 g/mol, XLogP of 1.94, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(3R)-1-[[(2R)-oxan-2-yl]methyl]pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 129490363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).