N-[(1R,2R)-2-ethoxycyclopentyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide

C15H24N4O3 — CID 128632999

IUPACN-[(1R,2R)-2-ethoxycyclopentyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide
SMILESCCO[C@@H]1CCC[C@H]1NC(=O)N1CCC(c2nc(C)no2)C1
InChIInChI=1S/C15H24N4O3/c1-3-21-13-6-4-5-12(13)17-15(20)19-8-7-11(9-19)14-16-10(2)18-22-14/h11-13H,3-9H2,1-2H3,(H,17,20)/t11?,12-,13-/m1/s1
InChIKeyAFBAFYIDPJJITQ-VFRRUGBOSA-N
MW308.38 g/mol
LogP1.83
Rot. Bonds4

About N-[(1R,2R)-2-ethoxycyclopentyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide

N-[(1R,2R)-2-ethoxycyclopentyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide (PubChem CID 128632999) has the molecular formula C15H24N4O3 and a molecular weight of 308.38 g/mol. Its IUPAC name is N-[(1R,2R)-2-ethoxycyclopentyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-ethoxycyclopentyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide
PubChem CID128632999
Molecular FormulaC15H24N4O3
Molecular Weight308.38 g/mol
Exact Mass308.18
IUPAC NameN-[(1R,2R)-2-ethoxycyclopentyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide
SMILESCCO[C@@H]1CCC[C@H]1NC(=O)N1CCC(c2nc(C)no2)C1
InChIInChI=1S/C15H24N4O3/c1-3-21-13-6-4-5-12(13)17-15(20)19-8-7-11(9-19)14-16-10(2)18-22-14/h11-13H,3-9H2,1-2H3,(H,17,20)/t11?,12-,13-/m1/s1
InChIKeyAFBAFYIDPJJITQ-VFRRUGBOSA-N
XLogP1.83
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-ethoxycyclopentyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide?
The IUPAC name of N-[(1R,2R)-2-ethoxycyclopentyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide (CID 128632999) is N-[(1R,2R)-2-ethoxycyclopentyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[(1R,2R)-2-ethoxycyclopentyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-[(1R,2R)-2-ethoxycyclopentyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide is CCO[C@@H]1CCC[C@H]1NC(=O)N1CCC(c2nc(C)no2)C1.
What is the InChIKey of N-[(1R,2R)-2-ethoxycyclopentyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide?
The InChIKey is AFBAFYIDPJJITQ-VFRRUGBOSA-N. The full InChI is InChI=1S/C15H24N4O3/c1-3-21-13-6-4-5-12(13)17-15(20)19-8-7-11(9-19)14-16-10(2)18-22-14/h11-13H,3-9H2,1-2H3,(H,17,20)/t11?,12-,13-/m1/s1.
What are the key properties of N-[(1R,2R)-2-ethoxycyclopentyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide?
N-[(1R,2R)-2-ethoxycyclopentyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide has a molecular weight of 308.38 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-ethoxycyclopentyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 128632999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).