N-cyclopentyl-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]propanamide

C12H20N4O2 — CID 106401243

IUPACN-cyclopentyl-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]propanamide
SMILESCC(NCCc1ncon1)C(=O)NC1CCCC1
InChIInChI=1S/C12H20N4O2/c1-9(12(17)15-10-4-2-3-5-10)13-7-6-11-14-8-18-16-11/h8-10,13H,2-7H2,1H3,(H,15,17)
InChIKeyFLZSBTIZEUOSBL-UHFFFAOYSA-N
MW252.32 g/mol
LogP0.65
Rot. Bonds6

About N-cyclopentyl-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]propanamide

N-cyclopentyl-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]propanamide (PubChem CID 106401243) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is N-cyclopentyl-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]propanamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]propanamide
PubChem CID106401243
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC NameN-cyclopentyl-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]propanamide
SMILESCC(NCCc1ncon1)C(=O)NC1CCCC1
InChIInChI=1S/C12H20N4O2/c1-9(12(17)15-10-4-2-3-5-10)13-7-6-11-14-8-18-16-11/h8-10,13H,2-7H2,1H3,(H,15,17)
InChIKeyFLZSBTIZEUOSBL-UHFFFAOYSA-N
XLogP0.65
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclohexyl-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]acetamide
CID 114183997
2-cyclopropyl-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]acetic acid
CID 106402019
N-(dicyclopropylmethyl)-2-(1,2,4-oxadiazol-3-yl)ethanamine
CID 106395342
N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-4-propan-2-ylcyclohexan-1-amine
CID 106396755
N-cyclopropyl-2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]propanamide
CID 106400101
methyl 3-[2-(1,2,4-oxadiazol-3-yl)ethylamino]butanoate
CID 106400593
2-(butylamino)-N-cyclopentylpropanamide
CID 43083458
N-cyclohexyl-2-[2-(3-methylphenyl)ethylamino]propanamide
CID 62313383
2-(cyclopropylamino)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]acetamide
CID 106397634
N-[2-(1,2,4-oxadiazol-3-yl)ethyl]but-3-yn-2-amine
CID 106400759
(2S)-N-cyclopentyl-2-(2-propan-2-ylsulfanylethylamino)propanamide
CID 95125590
N-cyclopentyl-2-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]propanamide
CID 115571861

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]propanamide?
The IUPAC name of N-cyclopentyl-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]propanamide (CID 106401243) is N-cyclopentyl-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]propanamide.
What is the SMILES notation for N-cyclopentyl-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]propanamide?
The canonical SMILES for N-cyclopentyl-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]propanamide is CC(NCCc1ncon1)C(=O)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]propanamide?
The InChIKey is FLZSBTIZEUOSBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-9(12(17)15-10-4-2-3-5-10)13-7-6-11-14-8-18-16-11/h8-10,13H,2-7H2,1H3,(H,15,17).
What are the key properties of N-cyclopentyl-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]propanamide?
N-cyclopentyl-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]propanamide has a molecular weight of 252.32 g/mol, XLogP of 0.65, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]propanamide is sourced from PubChem (CID 106401243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).