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

C17H28N4O3 — CID 129490622

IUPACN-[(3S)-1-[[(2R)-oxolan-2-yl]methyl]pyrrolidin-3-yl]-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]acetamide
SMILESCC(=O)N(Cc1noc(C(C)C)n1)[C@H]1CCN(C[C@H]2CCCO2)C1
InChIInChI=1S/C17H28N4O3/c1-12(2)17-18-16(19-24-17)11-21(13(3)22)14-6-7-20(9-14)10-15-5-4-8-23-15/h12,14-15H,4-11H2,1-3H3/t14-,15+/m0/s1
InChIKeyWWBPFUJERVUPPK-LSDHHAIUSA-N
MW336.44 g/mol
LogP1.79
Rot. Bonds6

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

N-[(3S)-1-[[(2R)-oxolan-2-yl]methyl]pyrrolidin-3-yl]-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]acetamide (PubChem CID 129490622) has the molecular formula C17H28N4O3 and a molecular weight of 336.44 g/mol. Its IUPAC name is N-[(3S)-1-[[(2R)-oxolan-2-yl]methyl]pyrrolidin-3-yl]-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]acetamide.

Molecular Properties

Compound NameN-[(3S)-1-[[(2R)-oxolan-2-yl]methyl]pyrrolidin-3-yl]-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]acetamide
PubChem CID129490622
Molecular FormulaC17H28N4O3
Molecular Weight336.44 g/mol
Exact Mass336.22
IUPAC NameN-[(3S)-1-[[(2R)-oxolan-2-yl]methyl]pyrrolidin-3-yl]-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]acetamide
SMILESCC(=O)N(Cc1noc(C(C)C)n1)[C@H]1CCN(C[C@H]2CCCO2)C1
InChIInChI=1S/C17H28N4O3/c1-12(2)17-18-16(19-24-17)11-21(13(3)22)14-6-7-20(9-14)10-15-5-4-8-23-15/h12,14-15H,4-11H2,1-3H3/t14-,15+/m0/s1
InChIKeyWWBPFUJERVUPPK-LSDHHAIUSA-N
XLogP1.79
TPSA71.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 51.79
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-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(3R)-1-[[(2R)-oxan-2-yl]methyl]pyrrolidin-3-yl]acetamide
CID 129490363
N-[(3S)-1-(cyclopentylmethyl)pyrrolidin-3-yl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]acetamide
CID 97074201
N-methyl-1-[(2S)-oxolan-2-yl]-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]methanamine
CID 127923318
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-(2-cyclopentylethyl)pyrrolidin-3-yl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]acetamide
CID 154749222
2-[3-[acetyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]-N-cyclopropyl-N-methylacetamide
CID 71872472
2-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]pentan-3-one
CID 63561422
3-[methyl-[1-(oxolan-2-ylmethyl)pyrrolidin-3-yl]amino]propanoic acid
CID 117004318
2-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]morpholin-2-yl]acetic acid
CID 66434488

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-[[(2R)-oxolan-2-yl]methyl]pyrrolidin-3-yl]-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]acetamide?
The IUPAC name of 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) is N-[(3S)-1-[[(2R)-oxolan-2-yl]methyl]pyrrolidin-3-yl]-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]acetamide.
What is the SMILES notation for N-[(3S)-1-[[(2R)-oxolan-2-yl]methyl]pyrrolidin-3-yl]-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]acetamide?
The canonical SMILES for N-[(3S)-1-[[(2R)-oxolan-2-yl]methyl]pyrrolidin-3-yl]-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]acetamide is CC(=O)N(Cc1noc(C(C)C)n1)[C@H]1CCN(C[C@H]2CCCO2)C1.
What is the InChIKey of N-[(3S)-1-[[(2R)-oxolan-2-yl]methyl]pyrrolidin-3-yl]-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]acetamide?
The InChIKey is WWBPFUJERVUPPK-LSDHHAIUSA-N. The full InChI is InChI=1S/C17H28N4O3/c1-12(2)17-18-16(19-24-17)11-21(13(3)22)14-6-7-20(9-14)10-15-5-4-8-23-15/h12,14-15H,4-11H2,1-3H3/t14-,15+/m0/s1.
What are the key properties of N-[(3S)-1-[[(2R)-oxolan-2-yl]methyl]pyrrolidin-3-yl]-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]acetamide?
N-[(3S)-1-[[(2R)-oxolan-2-yl]methyl]pyrrolidin-3-yl]-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]acetamide has a molecular weight of 336.44 g/mol, XLogP of 1.79, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-[[(2R)-oxolan-2-yl]methyl]pyrrolidin-3-yl]-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]acetamide is sourced from PubChem (CID 129490622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).