[1-[3-(1-aminoethyl)-1,2,4-oxadiazole-5-carbonyl]-4-phenylpyrrolidin-2-yl]-(3-phenylpyrrolidin-1-yl)methanone

C26H29N5O3 — CID 67175983

IUPAC[1-[3-(1-aminoethyl)-1,2,4-oxadiazole-5-carbonyl]-4-phenylpyrrolidin-2-yl]-(3-phenylpyrrolidin-1-yl)methanone
SMILESCC(N)c1noc(C(=O)N2CC(c3ccccc3)CC2C(=O)N2CCC(c3ccccc3)C2)n1
InChIInChI=1S/C26H29N5O3/c1-17(27)23-28-24(34-29-23)26(33)31-16-21(19-10-6-3-7-11-19)14-22(31)25(32)30-13-12-20(15-30)18-8-4-2-5-9-18/h2-11,17,20-22H,12-16,27H2,1H3
InChIKeyUCEXRDVUWGAJAC-UHFFFAOYSA-N
MW459.55 g/mol
LogP3.10
Rot. Bonds5

About [1-[3-(1-aminoethyl)-1,2,4-oxadiazole-5-carbonyl]-4-phenylpyrrolidin-2-yl]-(3-phenylpyrrolidin-1-yl)methanone

[1-[3-(1-aminoethyl)-1,2,4-oxadiazole-5-carbonyl]-4-phenylpyrrolidin-2-yl]-(3-phenylpyrrolidin-1-yl)methanone (PubChem CID 67175983) has the molecular formula C26H29N5O3 and a molecular weight of 459.55 g/mol. Its IUPAC name is [1-[3-(1-aminoethyl)-1,2,4-oxadiazole-5-carbonyl]-4-phenylpyrrolidin-2-yl]-(3-phenylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name[1-[3-(1-aminoethyl)-1,2,4-oxadiazole-5-carbonyl]-4-phenylpyrrolidin-2-yl]-(3-phenylpyrrolidin-1-yl)methanone
PubChem CID67175983
Molecular FormulaC26H29N5O3
Molecular Weight459.55 g/mol
Exact Mass459.23
IUPAC Name[1-[3-(1-aminoethyl)-1,2,4-oxadiazole-5-carbonyl]-4-phenylpyrrolidin-2-yl]-(3-phenylpyrrolidin-1-yl)methanone
SMILESCC(N)c1noc(C(=O)N2CC(c3ccccc3)CC2C(=O)N2CCC(c3ccccc3)C2)n1
InChIInChI=1S/C26H29N5O3/c1-17(27)23-28-24(34-29-23)26(33)31-16-21(19-10-6-3-7-11-19)14-22(31)25(32)30-13-12-20(15-30)18-8-4-2-5-9-18/h2-11,17,20-22H,12-16,27H2,1H3
InChIKeyUCEXRDVUWGAJAC-UHFFFAOYSA-N
XLogP3.10
TPSA105.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.55
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[1-[5-(1-aminoethyl)-1,3-oxazole-2-carbonyl]-4-phenylpyrrolidin-2-yl]-(3-phenylpyrrolidin-1-yl)methanone
CID 67176084
[1-[2-(1-aminoethyl)-1,3-oxazole-5-carbonyl]-4-phenylpyrrolidin-2-yl]-(3-phenylpyrrolidin-1-yl)methanone
CID 67175806
[(2S,4R)-1-[4-[(1S)-1-aminoethyl]-1-methylimidazole-2-carbonyl]-4-phenylpyrrolidin-2-yl]-(3-phenylpyrrolidin-1-yl)methanone
CID 67386682
[(2S,4R)-1-[5-(methylaminomethyl)-1,2,4-oxadiazole-3-carbonyl]-4-phenylpyrrolidin-2-yl]-[(3R)-3-phenylpyrrolidin-1-yl]methanone
CID 67175586
[(2S,4R)-1-[6-[1-(methylamino)ethyl]pyridine-2-carbonyl]-4-phenylpyrrolidin-2-yl]-[(3R)-3-phenylpyrrolidin-1-yl]methanone
CID 58436725
[1-[6-(aminomethyl)pyridine-2-carbonyl]-4-phenylpyrrolidin-2-yl]-(3-phenylpyrrolidin-1-yl)methanone
CID 67177214
[(2S,4R)-1-[5-[1-(methylamino)ethyl]furan-2-carbonyl]-4-phenylpyrrolidin-2-yl]-(3-phenylpyrrolidin-1-yl)methanone
CID 67175286
[(6S)-6-(1-aminoethyl)piperidin-2-yl]-[(2S,4R)-4-phenyl-2-[(3R)-3-phenylpyrrolidine-1-carbonyl]pyrrolidin-1-yl]methanone
CID 44599193
[(6R)-6-(1-aminoethyl)piperidin-2-yl]-[(2S,4R)-4-phenyl-2-[(3R)-3-phenylpyrrolidine-1-carbonyl]pyrrolidin-1-yl]methanone
CID 44599020
[(2S,4R)-1-[5-(1-aminoethyl)furan-2-carbonyl]-4-(4-fluorophenyl)pyrrolidin-2-yl]-[(3R)-3-(4-fluorophenyl)pyrrolidin-1-yl]methanone
CID 67175926
[(2S,4R)-1-[5-(methylaminomethyl)furan-2-carbonyl]-4-phenylpyrrolidin-2-yl]-(3-phenylpyrrolidin-1-yl)methanone
CID 67175687
2-bromo-1-(3-phenylpyrrolidin-1-yl)propan-1-one
CID 107905122

Frequently Asked Questions

What is the IUPAC name of [1-[3-(1-aminoethyl)-1,2,4-oxadiazole-5-carbonyl]-4-phenylpyrrolidin-2-yl]-(3-phenylpyrrolidin-1-yl)methanone?
The IUPAC name of [1-[3-(1-aminoethyl)-1,2,4-oxadiazole-5-carbonyl]-4-phenylpyrrolidin-2-yl]-(3-phenylpyrrolidin-1-yl)methanone (CID 67175983) is [1-[3-(1-aminoethyl)-1,2,4-oxadiazole-5-carbonyl]-4-phenylpyrrolidin-2-yl]-(3-phenylpyrrolidin-1-yl)methanone.
What is the SMILES notation for [1-[3-(1-aminoethyl)-1,2,4-oxadiazole-5-carbonyl]-4-phenylpyrrolidin-2-yl]-(3-phenylpyrrolidin-1-yl)methanone?
The canonical SMILES for [1-[3-(1-aminoethyl)-1,2,4-oxadiazole-5-carbonyl]-4-phenylpyrrolidin-2-yl]-(3-phenylpyrrolidin-1-yl)methanone is CC(N)c1noc(C(=O)N2CC(c3ccccc3)CC2C(=O)N2CCC(c3ccccc3)C2)n1.
What is the InChIKey of [1-[3-(1-aminoethyl)-1,2,4-oxadiazole-5-carbonyl]-4-phenylpyrrolidin-2-yl]-(3-phenylpyrrolidin-1-yl)methanone?
The InChIKey is UCEXRDVUWGAJAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O3/c1-17(27)23-28-24(34-29-23)26(33)31-16-21(19-10-6-3-7-11-19)14-22(31)25(32)30-13-12-20(15-30)18-8-4-2-5-9-18/h2-11,17,20-22H,12-16,27H2,1H3.
What are the key properties of [1-[3-(1-aminoethyl)-1,2,4-oxadiazole-5-carbonyl]-4-phenylpyrrolidin-2-yl]-(3-phenylpyrrolidin-1-yl)methanone?
[1-[3-(1-aminoethyl)-1,2,4-oxadiazole-5-carbonyl]-4-phenylpyrrolidin-2-yl]-(3-phenylpyrrolidin-1-yl)methanone has a molecular weight of 459.55 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-(1-aminoethyl)-1,2,4-oxadiazole-5-carbonyl]-4-phenylpyrrolidin-2-yl]-(3-phenylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 67175983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).