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

C16H23N7O2 — CID 71872439

IUPACN-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-[1-[2-(1,2,4-triazol-1-yl)ethyl]pyrrolidin-3-yl]acetamide
SMILESCC(=O)N(Cc1noc(C2CC2)n1)C1CCN(CCn2cncn2)C1
InChIInChI=1S/C16H23N7O2/c1-12(24)23(9-15-19-16(25-20-15)13-2-3-13)14-4-5-21(8-14)6-7-22-11-17-10-18-22/h10-11,13-14H,2-9H2,1H3
InChIKeyLNCSOOSXGWXDQG-UHFFFAOYSA-N
MW345.41 g/mol
LogP0.66
Rot. Bonds7

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

N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-[1-[2-(1,2,4-triazol-1-yl)ethyl]pyrrolidin-3-yl]acetamide (PubChem CID 71872439) has the molecular formula C16H23N7O2 and a molecular weight of 345.41 g/mol. Its IUPAC name is N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-[1-[2-(1,2,4-triazol-1-yl)ethyl]pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-[1-[2-(1,2,4-triazol-1-yl)ethyl]pyrrolidin-3-yl]acetamide
PubChem CID71872439
Molecular FormulaC16H23N7O2
Molecular Weight345.41 g/mol
Exact Mass345.19
IUPAC NameN-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-[1-[2-(1,2,4-triazol-1-yl)ethyl]pyrrolidin-3-yl]acetamide
SMILESCC(=O)N(Cc1noc(C2CC2)n1)C1CCN(CCn2cncn2)C1
InChIInChI=1S/C16H23N7O2/c1-12(24)23(9-15-19-16(25-20-15)13-2-3-13)14-4-5-21(8-14)6-7-22-11-17-10-18-22/h10-11,13-14H,2-9H2,1H3
InChIKeyLNCSOOSXGWXDQG-UHFFFAOYSA-N
XLogP0.66
TPSA93.18 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

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CID 72123577
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Frequently Asked Questions

What is the IUPAC name of N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-[1-[2-(1,2,4-triazol-1-yl)ethyl]pyrrolidin-3-yl]acetamide?
The IUPAC name of N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-[1-[2-(1,2,4-triazol-1-yl)ethyl]pyrrolidin-3-yl]acetamide (CID 71872439) is N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-[1-[2-(1,2,4-triazol-1-yl)ethyl]pyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-[1-[2-(1,2,4-triazol-1-yl)ethyl]pyrrolidin-3-yl]acetamide?
The canonical SMILES for N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-[1-[2-(1,2,4-triazol-1-yl)ethyl]pyrrolidin-3-yl]acetamide is CC(=O)N(Cc1noc(C2CC2)n1)C1CCN(CCn2cncn2)C1.
What is the InChIKey of N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-[1-[2-(1,2,4-triazol-1-yl)ethyl]pyrrolidin-3-yl]acetamide?
The InChIKey is LNCSOOSXGWXDQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N7O2/c1-12(24)23(9-15-19-16(25-20-15)13-2-3-13)14-4-5-21(8-14)6-7-22-11-17-10-18-22/h10-11,13-14H,2-9H2,1H3.
What are the key properties of N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-[1-[2-(1,2,4-triazol-1-yl)ethyl]pyrrolidin-3-yl]acetamide?
N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-[1-[2-(1,2,4-triazol-1-yl)ethyl]pyrrolidin-3-yl]acetamide has a molecular weight of 345.41 g/mol, XLogP of 0.66, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-[1-[2-(1,2,4-triazol-1-yl)ethyl]pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 71872439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).