N-[(3S,4R)-4-cyclopropyl-1-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-3-yl]cyclobutanecarboxamide

C18H28N4O3 — CID 133128736

IUPACN-[(3S,4R)-4-cyclopropyl-1-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-3-yl]cyclobutanecarboxamide
SMILESCOCCc1noc(CN2C[C@@H](NC(=O)C3CCC3)[C@H](C3CC3)C2)n1
InChIInChI=1S/C18H28N4O3/c1-24-8-7-16-20-17(25-21-16)11-22-9-14(12-5-6-12)15(10-22)19-18(23)13-3-2-4-13/h12-15H,2-11H2,1H3,(H,19,23)/t14-,15+/m0/s1
InChIKeyALXDJQGZUJZRQF-LSDHHAIUSA-N
MW348.45 g/mol
LogP1.39
Rot. Bonds8

About N-[(3S,4R)-4-cyclopropyl-1-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-3-yl]cyclobutanecarboxamide

N-[(3S,4R)-4-cyclopropyl-1-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-3-yl]cyclobutanecarboxamide (PubChem CID 133128736) has the molecular formula C18H28N4O3 and a molecular weight of 348.45 g/mol. Its IUPAC name is N-[(3S,4R)-4-cyclopropyl-1-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-3-yl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[(3S,4R)-4-cyclopropyl-1-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-3-yl]cyclobutanecarboxamide
PubChem CID133128736
Molecular FormulaC18H28N4O3
Molecular Weight348.45 g/mol
Exact Mass348.22
IUPAC NameN-[(3S,4R)-4-cyclopropyl-1-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-3-yl]cyclobutanecarboxamide
SMILESCOCCc1noc(CN2C[C@@H](NC(=O)C3CCC3)[C@H](C3CC3)C2)n1
InChIInChI=1S/C18H28N4O3/c1-24-8-7-16-20-17(25-21-16)11-22-9-14(12-5-6-12)15(10-22)19-18(23)13-3-2-4-13/h12-15H,2-11H2,1H3,(H,19,23)/t14-,15+/m0/s1
InChIKeyALXDJQGZUJZRQF-LSDHHAIUSA-N
XLogP1.39
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 51.39
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-cyclopropyl-1-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-3-yl]cyclobutanecarboxamide?
The IUPAC name of N-[(3S,4R)-4-cyclopropyl-1-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-3-yl]cyclobutanecarboxamide (CID 133128736) is N-[(3S,4R)-4-cyclopropyl-1-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-3-yl]cyclobutanecarboxamide.
What is the SMILES notation for N-[(3S,4R)-4-cyclopropyl-1-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-3-yl]cyclobutanecarboxamide?
The canonical SMILES for N-[(3S,4R)-4-cyclopropyl-1-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-3-yl]cyclobutanecarboxamide is COCCc1noc(CN2C[C@@H](NC(=O)C3CCC3)[C@H](C3CC3)C2)n1.
What is the InChIKey of N-[(3S,4R)-4-cyclopropyl-1-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-3-yl]cyclobutanecarboxamide?
The InChIKey is ALXDJQGZUJZRQF-LSDHHAIUSA-N. The full InChI is InChI=1S/C18H28N4O3/c1-24-8-7-16-20-17(25-21-16)11-22-9-14(12-5-6-12)15(10-22)19-18(23)13-3-2-4-13/h12-15H,2-11H2,1H3,(H,19,23)/t14-,15+/m0/s1.
What are the key properties of N-[(3S,4R)-4-cyclopropyl-1-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-3-yl]cyclobutanecarboxamide?
N-[(3S,4R)-4-cyclopropyl-1-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-3-yl]cyclobutanecarboxamide has a molecular weight of 348.45 g/mol, XLogP of 1.39, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-4-cyclopropyl-1-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-3-yl]cyclobutanecarboxamide is sourced from PubChem (CID 133128736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).