N-[2-[5-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-3-yl]ethyl]acetamide

C13H21N3O3 — CID 126803296

IUPACN-[2-[5-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-3-yl]ethyl]acetamide
SMILESCCOC1(c2nc(CCNC(C)=O)no2)CCCC1
InChIInChI=1S/C13H21N3O3/c1-3-18-13(7-4-5-8-13)12-15-11(16-19-12)6-9-14-10(2)17/h3-9H2,1-2H3,(H,14,17)
InChIKeyKYMOZKYMSOCNNQ-UHFFFAOYSA-N
MW267.33 g/mol
LogP1.55
Rot. Bonds6

About N-[2-[5-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-3-yl]ethyl]acetamide

N-[2-[5-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-3-yl]ethyl]acetamide (PubChem CID 126803296) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is N-[2-[5-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-3-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[5-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-3-yl]ethyl]acetamide
PubChem CID126803296
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC NameN-[2-[5-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-3-yl]ethyl]acetamide
SMILESCCOC1(c2nc(CCNC(C)=O)no2)CCCC1
InChIInChI=1S/C13H21N3O3/c1-3-18-13(7-4-5-8-13)12-15-11(16-19-12)6-9-14-10(2)17/h3-9H2,1-2H3,(H,14,17)
InChIKeyKYMOZKYMSOCNNQ-UHFFFAOYSA-N
XLogP1.55
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-3-yl]ethyl]acetamide?
The IUPAC name of N-[2-[5-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-3-yl]ethyl]acetamide (CID 126803296) is N-[2-[5-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-3-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[5-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-3-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[5-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-3-yl]ethyl]acetamide is CCOC1(c2nc(CCNC(C)=O)no2)CCCC1.
What is the InChIKey of N-[2-[5-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-3-yl]ethyl]acetamide?
The InChIKey is KYMOZKYMSOCNNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-3-18-13(7-4-5-8-13)12-15-11(16-19-12)6-9-14-10(2)17/h3-9H2,1-2H3,(H,14,17).
What are the key properties of N-[2-[5-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-3-yl]ethyl]acetamide?
N-[2-[5-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-3-yl]ethyl]acetamide has a molecular weight of 267.33 g/mol, XLogP of 1.55, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-3-yl]ethyl]acetamide is sourced from PubChem (CID 126803296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).