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

C18H28N4O3 — CID 71872446

IUPACN-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-[1-(oxan-4-ylmethyl)pyrrolidin-3-yl]acetamide
SMILESCC(=O)N(Cc1noc(C2CC2)n1)C1CCN(CC2CCOCC2)C1
InChIInChI=1S/C18H28N4O3/c1-13(23)22(12-17-19-18(25-20-17)15-2-3-15)16-4-7-21(11-16)10-14-5-8-24-9-6-14/h14-16H,2-12H2,1H3
InChIKeyOIJYBNZTOFWJLP-UHFFFAOYSA-N
MW348.45 g/mol
LogP1.80
Rot. Bonds6

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

N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-[1-(oxan-4-ylmethyl)pyrrolidin-3-yl]acetamide (PubChem CID 71872446) has the molecular formula C18H28N4O3 and a molecular weight of 348.45 g/mol. Its IUPAC name is N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-[1-(oxan-4-ylmethyl)pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-[1-(oxan-4-ylmethyl)pyrrolidin-3-yl]acetamide
PubChem CID71872446
Molecular FormulaC18H28N4O3
Molecular Weight348.45 g/mol
Exact Mass348.22
IUPAC NameN-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-[1-(oxan-4-ylmethyl)pyrrolidin-3-yl]acetamide
SMILESCC(=O)N(Cc1noc(C2CC2)n1)C1CCN(CC2CCOCC2)C1
InChIInChI=1S/C18H28N4O3/c1-13(23)22(12-17-19-18(25-20-17)15-2-3-15)16-4-7-21(11-16)10-14-5-8-24-9-6-14/h14-16H,2-12H2,1H3
InChIKeyOIJYBNZTOFWJLP-UHFFFAOYSA-N
XLogP1.80
TPSA71.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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-(oxan-4-ylmethyl)pyrrolidin-3-yl]acetamide?
The IUPAC name of N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-[1-(oxan-4-ylmethyl)pyrrolidin-3-yl]acetamide (CID 71872446) is N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-[1-(oxan-4-ylmethyl)pyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-[1-(oxan-4-ylmethyl)pyrrolidin-3-yl]acetamide?
The canonical SMILES for N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-[1-(oxan-4-ylmethyl)pyrrolidin-3-yl]acetamide is CC(=O)N(Cc1noc(C2CC2)n1)C1CCN(CC2CCOCC2)C1.
What is the InChIKey of N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-[1-(oxan-4-ylmethyl)pyrrolidin-3-yl]acetamide?
The InChIKey is OIJYBNZTOFWJLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O3/c1-13(23)22(12-17-19-18(25-20-17)15-2-3-15)16-4-7-21(11-16)10-14-5-8-24-9-6-14/h14-16H,2-12H2,1H3.
What are the key properties of N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-[1-(oxan-4-ylmethyl)pyrrolidin-3-yl]acetamide?
N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-[1-(oxan-4-ylmethyl)pyrrolidin-3-yl]acetamide has a molecular weight of 348.45 g/mol, XLogP of 1.80, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-[1-(oxan-4-ylmethyl)pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 71872446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).