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

C16H26N4O3 — CID 97059779

IUPACN-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(3S)-1-[[(3S)-oxolan-3-yl]methyl]pyrrolidin-3-yl]acetamide
SMILESCCc1nc(CN(C(C)=O)[C@H]2CCN(C[C@@H]3CCOC3)C2)no1
InChIInChI=1S/C16H26N4O3/c1-3-16-17-15(18-23-16)10-20(12(2)21)14-4-6-19(9-14)8-13-5-7-22-11-13/h13-14H,3-11H2,1-2H3/t13-,14-/m0/s1
InChIKeyRZRXEEGMZLOTEB-KBPBESRZSA-N
MW322.41 g/mol
LogP1.09
Rot. Bonds6

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

N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(3S)-1-[[(3S)-oxolan-3-yl]methyl]pyrrolidin-3-yl]acetamide (PubChem CID 97059779) has the molecular formula C16H26N4O3 and a molecular weight of 322.41 g/mol. Its IUPAC name is N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(3S)-1-[[(3S)-oxolan-3-yl]methyl]pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(3S)-1-[[(3S)-oxolan-3-yl]methyl]pyrrolidin-3-yl]acetamide
PubChem CID97059779
Molecular FormulaC16H26N4O3
Molecular Weight322.41 g/mol
Exact Mass322.20
IUPAC NameN-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(3S)-1-[[(3S)-oxolan-3-yl]methyl]pyrrolidin-3-yl]acetamide
SMILESCCc1nc(CN(C(C)=O)[C@H]2CCN(C[C@@H]3CCOC3)C2)no1
InChIInChI=1S/C16H26N4O3/c1-3-16-17-15(18-23-16)10-20(12(2)21)14-4-6-19(9-14)8-13-5-7-22-11-13/h13-14H,3-11H2,1-2H3/t13-,14-/m0/s1
InChIKeyRZRXEEGMZLOTEB-KBPBESRZSA-N
XLogP1.09
TPSA71.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3S)-1-(cyclopentylmethyl)pyrrolidin-3-yl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]acetamide
CID 97074201
N-[1-[(2-amino-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]acetamide;hydrochloride
CID 120904420
N-[1-(2-ethylsulfonylethyl)pyrrolidin-3-yl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]acetamide
CID 71872498
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(3S)-1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]acetamide
CID 97008816
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-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(3S)-1-[[(2S)-oxan-2-yl]methyl]pyrrolidin-3-yl]acetamide
CID 97092898
N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(3R)-1-[[(2R)-oxan-2-yl]methyl]pyrrolidin-3-yl]acetamide
CID 129490363
N-[(3R)-1-[(3S)-1-(2,2-dimethylpropanoyl)piperidine-3-carbonyl]pyrrolidin-3-yl]-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]acetamide
CID 97241657
N-[1-(2-cyclopentylethyl)pyrrolidin-3-yl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]acetamide
CID 154749222
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
2-[(3R)-3-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]-N-[[(3R)-oxolan-3-yl]methyl]acetamide
CID 98799398

Frequently Asked Questions

What is the IUPAC name of N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(3S)-1-[[(3S)-oxolan-3-yl]methyl]pyrrolidin-3-yl]acetamide?
The IUPAC name of N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(3S)-1-[[(3S)-oxolan-3-yl]methyl]pyrrolidin-3-yl]acetamide (CID 97059779) is N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(3S)-1-[[(3S)-oxolan-3-yl]methyl]pyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(3S)-1-[[(3S)-oxolan-3-yl]methyl]pyrrolidin-3-yl]acetamide?
The canonical SMILES for N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(3S)-1-[[(3S)-oxolan-3-yl]methyl]pyrrolidin-3-yl]acetamide is CCc1nc(CN(C(C)=O)[C@H]2CCN(C[C@@H]3CCOC3)C2)no1.
What is the InChIKey of N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(3S)-1-[[(3S)-oxolan-3-yl]methyl]pyrrolidin-3-yl]acetamide?
The InChIKey is RZRXEEGMZLOTEB-KBPBESRZSA-N. The full InChI is InChI=1S/C16H26N4O3/c1-3-16-17-15(18-23-16)10-20(12(2)21)14-4-6-19(9-14)8-13-5-7-22-11-13/h13-14H,3-11H2,1-2H3/t13-,14-/m0/s1.
What are the key properties of N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(3S)-1-[[(3S)-oxolan-3-yl]methyl]pyrrolidin-3-yl]acetamide?
N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(3S)-1-[[(3S)-oxolan-3-yl]methyl]pyrrolidin-3-yl]acetamide has a molecular weight of 322.41 g/mol, XLogP of 1.09, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(3S)-1-[[(3S)-oxolan-3-yl]methyl]pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 97059779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).