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

C17H23N5O2 — CID 72856284

IUPACN-[(3S,4R)-4-propyl-1-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-yl]acetamide
SMILESCCC[C@@H]1CN(Cc2nnc(-c3cccnc3)o2)C[C@H]1NC(C)=O
InChIInChI=1S/C17H23N5O2/c1-3-5-14-9-22(10-15(14)19-12(2)23)11-16-20-21-17(24-16)13-6-4-7-18-8-13/h4,6-8,14-15H,3,5,9-11H2,1-2H3,(H,19,23)/t14-,15-/m1/s1
InChIKeyYXVNLQVWYLZTCD-HUUCEWRRSA-N
MW329.40 g/mol
LogP1.87
Rot. Bonds6

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

N-[(3S,4R)-4-propyl-1-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-yl]acetamide (PubChem CID 72856284) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is N-[(3S,4R)-4-propyl-1-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3S,4R)-4-propyl-1-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-yl]acetamide
PubChem CID72856284
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC NameN-[(3S,4R)-4-propyl-1-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-yl]acetamide
SMILESCCC[C@@H]1CN(Cc2nnc(-c3cccnc3)o2)C[C@H]1NC(C)=O
InChIInChI=1S/C17H23N5O2/c1-3-5-14-9-22(10-15(14)19-12(2)23)11-16-20-21-17(24-16)13-6-4-7-18-8-13/h4,6-8,14-15H,3,5,9-11H2,1-2H3,(H,19,23)/t14-,15-/m1/s1
InChIKeyYXVNLQVWYLZTCD-HUUCEWRRSA-N
XLogP1.87
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-4-propyl-1-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-yl]acetamide?
The IUPAC name of N-[(3S,4R)-4-propyl-1-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-yl]acetamide (CID 72856284) is N-[(3S,4R)-4-propyl-1-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-[(3S,4R)-4-propyl-1-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-yl]acetamide?
The canonical SMILES for N-[(3S,4R)-4-propyl-1-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-yl]acetamide is CCC[C@@H]1CN(Cc2nnc(-c3cccnc3)o2)C[C@H]1NC(C)=O.
What is the InChIKey of N-[(3S,4R)-4-propyl-1-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-yl]acetamide?
The InChIKey is YXVNLQVWYLZTCD-HUUCEWRRSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-3-5-14-9-22(10-15(14)19-12(2)23)11-16-20-21-17(24-16)13-6-4-7-18-8-13/h4,6-8,14-15H,3,5,9-11H2,1-2H3,(H,19,23)/t14-,15-/m1/s1.
What are the key properties of N-[(3S,4R)-4-propyl-1-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-yl]acetamide?
N-[(3S,4R)-4-propyl-1-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-yl]acetamide has a molecular weight of 329.40 g/mol, XLogP of 1.87, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-4-propyl-1-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 72856284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).