2-[3-[acetyl-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]-N-cyclopropylacetamide

C17H25N5O3 — CID 71872449

IUPAC2-[3-[acetyl-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]-N-cyclopropylacetamide
SMILESCC(=O)N(Cc1noc(C2CC2)n1)C1CCN(CC(=O)NC2CC2)C1
InChIInChI=1S/C17H25N5O3/c1-11(23)22(9-15-19-17(25-20-15)12-2-3-12)14-6-7-21(8-14)10-16(24)18-13-4-5-13/h12-14H,2-10H2,1H3,(H,18,24)
InChIKeyNACYIWMINOBQDW-UHFFFAOYSA-N
MW347.42 g/mol
LogP0.65
Rot. Bonds7

About 2-[3-[acetyl-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]-N-cyclopropylacetamide

2-[3-[acetyl-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]-N-cyclopropylacetamide (PubChem CID 71872449) has the molecular formula C17H25N5O3 and a molecular weight of 347.42 g/mol. Its IUPAC name is 2-[3-[acetyl-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[3-[acetyl-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]-N-cyclopropylacetamide
PubChem CID71872449
Molecular FormulaC17H25N5O3
Molecular Weight347.42 g/mol
Exact Mass347.20
IUPAC Name2-[3-[acetyl-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]-N-cyclopropylacetamide
SMILESCC(=O)N(Cc1noc(C2CC2)n1)C1CCN(CC(=O)NC2CC2)C1
InChIInChI=1S/C17H25N5O3/c1-11(23)22(9-15-19-17(25-20-15)12-2-3-12)14-6-7-21(8-14)10-16(24)18-13-4-5-13/h12-14H,2-10H2,1H3,(H,18,24)
InChIKeyNACYIWMINOBQDW-UHFFFAOYSA-N
XLogP0.65
TPSA91.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[acetyl-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]-N-cyclopropylacetamide?
The IUPAC name of 2-[3-[acetyl-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]-N-cyclopropylacetamide (CID 71872449) is 2-[3-[acetyl-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[3-[acetyl-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]-N-cyclopropylacetamide?
The canonical SMILES for 2-[3-[acetyl-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]-N-cyclopropylacetamide is CC(=O)N(Cc1noc(C2CC2)n1)C1CCN(CC(=O)NC2CC2)C1.
What is the InChIKey of 2-[3-[acetyl-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]-N-cyclopropylacetamide?
The InChIKey is NACYIWMINOBQDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O3/c1-11(23)22(9-15-19-17(25-20-15)12-2-3-12)14-6-7-21(8-14)10-16(24)18-13-4-5-13/h12-14H,2-10H2,1H3,(H,18,24).
What are the key properties of 2-[3-[acetyl-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]-N-cyclopropylacetamide?
2-[3-[acetyl-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]-N-cyclopropylacetamide has a molecular weight of 347.42 g/mol, XLogP of 0.65, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[acetyl-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]-N-cyclopropylacetamide is sourced from PubChem (CID 71872449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).