3-(3-bromo-4-pyridinyl)-5-(1-ethoxycyclopentyl)-1,2,4-oxadiazole

C14H16BrN3O2 — CID 126834218

IUPAC3-(3-bromo-4-pyridinyl)-5-(1-ethoxycyclopentyl)-1,2,4-oxadiazole
SMILESCCOC1(c2nc(-c3ccncc3Br)no2)CCCC1
InChIInChI=1S/C14H16BrN3O2/c1-2-19-14(6-3-4-7-14)13-17-12(18-20-13)10-5-8-16-9-11(10)15/h5,8-9H,2-4,6-7H2,1H3
InChIKeyDWXLHXOTPYSWGQ-UHFFFAOYSA-N
MW338.21 g/mol
LogP3.70
Rot. Bonds4

About 3-(3-bromo-4-pyridinyl)-5-(1-ethoxycyclopentyl)-1,2,4-oxadiazole

3-(3-bromo-4-pyridinyl)-5-(1-ethoxycyclopentyl)-1,2,4-oxadiazole (PubChem CID 126834218) has the molecular formula C14H16BrN3O2 and a molecular weight of 338.21 g/mol. Its IUPAC name is 3-(3-bromo-4-pyridinyl)-5-(1-ethoxycyclopentyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(3-bromo-4-pyridinyl)-5-(1-ethoxycyclopentyl)-1,2,4-oxadiazole
PubChem CID126834218
Molecular FormulaC14H16BrN3O2
Molecular Weight338.21 g/mol
Exact Mass337.04
IUPAC Name3-(3-bromo-4-pyridinyl)-5-(1-ethoxycyclopentyl)-1,2,4-oxadiazole
SMILESCCOC1(c2nc(-c3ccncc3Br)no2)CCCC1
InChIInChI=1S/C14H16BrN3O2/c1-2-19-14(6-3-4-7-14)13-17-12(18-20-13)10-5-8-16-9-11(10)15/h5,8-9H,2-4,6-7H2,1H3
InChIKeyDWXLHXOTPYSWGQ-UHFFFAOYSA-N
XLogP3.70
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.21
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-(difluoromethoxy)phenyl]-5-(1-ethoxycyclopentyl)-1,2,4-oxadiazole
CID 126805804
3-[5-(1,3-dioxolan-2-yl)furan-2-yl]-5-(1-ethoxycyclopentyl)-1,2,4-oxadiazole
CID 126826089
3-(3-bromo-4-pyridinyl)-5-(1-methylsulfanylpropan-2-yl)-1,2,4-oxadiazole
CID 126834223
N-[[3-(3-bromo-4-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpropan-2-amine
CID 126834221
3-(2-bromophenyl)-5-(3-propylpiperidin-3-yl)-1,2,4-oxadiazole
CID 63137750
3-(3-methyl-4-pyridinyl)-5-(3-propan-2-ylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 106983458
3-[(2R)-1,4-diazabicyclo[2.2.2]octan-2-yl]-5-(1-ethoxycyclopentyl)-1,2,4-oxadiazole
CID 129345137
ethyl 1-[3-(5-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylate
CID 79480611
5-(3-ethylpyrrolidin-3-yl)-3-pyridin-3-yl-1,2,4-oxadiazole
CID 63144302
5-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine
CID 116741380
5-(1-methoxycyclohexyl)-3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazole
CID 126813335
4-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]pyridin-3-ol
CID 136773857

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromo-4-pyridinyl)-5-(1-ethoxycyclopentyl)-1,2,4-oxadiazole?
The IUPAC name of 3-(3-bromo-4-pyridinyl)-5-(1-ethoxycyclopentyl)-1,2,4-oxadiazole (CID 126834218) is 3-(3-bromo-4-pyridinyl)-5-(1-ethoxycyclopentyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(3-bromo-4-pyridinyl)-5-(1-ethoxycyclopentyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(3-bromo-4-pyridinyl)-5-(1-ethoxycyclopentyl)-1,2,4-oxadiazole is CCOC1(c2nc(-c3ccncc3Br)no2)CCCC1.
What is the InChIKey of 3-(3-bromo-4-pyridinyl)-5-(1-ethoxycyclopentyl)-1,2,4-oxadiazole?
The InChIKey is DWXLHXOTPYSWGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O2/c1-2-19-14(6-3-4-7-14)13-17-12(18-20-13)10-5-8-16-9-11(10)15/h5,8-9H,2-4,6-7H2,1H3.
What are the key properties of 3-(3-bromo-4-pyridinyl)-5-(1-ethoxycyclopentyl)-1,2,4-oxadiazole?
3-(3-bromo-4-pyridinyl)-5-(1-ethoxycyclopentyl)-1,2,4-oxadiazole has a molecular weight of 338.21 g/mol, XLogP of 3.70, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromo-4-pyridinyl)-5-(1-ethoxycyclopentyl)-1,2,4-oxadiazole is sourced from PubChem (CID 126834218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).