3-(1-methoxycyclopentyl)-5-[(E)-2-(1H-pyrazol-4-yl)ethenyl]-1,2,4-oxadiazole

C13H16N4O2 — CID 167982034

IUPAC3-(1-methoxycyclopentyl)-5-[(E)-2-(1H-pyrazol-4-yl)ethenyl]-1,2,4-oxadiazole
SMILESCOC1(c2noc(/C=C/c3cn[nH]c3)n2)CCCC1
InChIInChI=1S/C13H16N4O2/c1-18-13(6-2-3-7-13)12-16-11(19-17-12)5-4-10-8-14-15-9-10/h4-5,8-9H,2-3,6-7H2,1H3,(H,14,15)/b5-4+
InChIKeyORQTYKQEFSUGNN-SNAWJCMRSA-N
MW260.30 g/mol
LogP2.38
Rot. Bonds4

About 3-(1-methoxycyclopentyl)-5-[(E)-2-(1H-pyrazol-4-yl)ethenyl]-1,2,4-oxadiazole

3-(1-methoxycyclopentyl)-5-[(E)-2-(1H-pyrazol-4-yl)ethenyl]-1,2,4-oxadiazole (PubChem CID 167982034) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 3-(1-methoxycyclopentyl)-5-[(E)-2-(1H-pyrazol-4-yl)ethenyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(1-methoxycyclopentyl)-5-[(E)-2-(1H-pyrazol-4-yl)ethenyl]-1,2,4-oxadiazole
PubChem CID167982034
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name3-(1-methoxycyclopentyl)-5-[(E)-2-(1H-pyrazol-4-yl)ethenyl]-1,2,4-oxadiazole
SMILESCOC1(c2noc(/C=C/c3cn[nH]c3)n2)CCCC1
InChIInChI=1S/C13H16N4O2/c1-18-13(6-2-3-7-13)12-16-11(19-17-12)5-4-10-8-14-15-9-10/h4-5,8-9H,2-3,6-7H2,1H3,(H,14,15)/b5-4+
InChIKeyORQTYKQEFSUGNN-SNAWJCMRSA-N
XLogP2.38
TPSA76.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(E)-2-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]ethenyl]aniline
CID 104609642
3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-amine
CID 104609719
1-[5-[(E)-2-(4-methylphenyl)ethenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120853967
1-[5-[(E)-2-(4-fluorophenyl)ethenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120851937
3-(1-methoxycyclopentyl)-5-(4-methylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 104609747
5-[2-(2-methoxypyrimidin-5-yl)ethenyl]-3-(1-pyridin-4-ylcyclobutyl)-1,2,4-oxadiazole
CID 154747137
4-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazole-5-carbonitrile
CID 136771094
1-[5-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120861094
3-(1-methoxycyclopentyl)-5-[(2-methyl-1H-imidazol-5-yl)methyl]-1,2,4-oxadiazole
CID 167854915
5-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine
CID 116743167
4-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]aniline
CID 104609706
1-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-N-methylmethanamine
CID 104609708

Frequently Asked Questions

What is the IUPAC name of 3-(1-methoxycyclopentyl)-5-[(E)-2-(1H-pyrazol-4-yl)ethenyl]-1,2,4-oxadiazole?
The IUPAC name of 3-(1-methoxycyclopentyl)-5-[(E)-2-(1H-pyrazol-4-yl)ethenyl]-1,2,4-oxadiazole (CID 167982034) is 3-(1-methoxycyclopentyl)-5-[(E)-2-(1H-pyrazol-4-yl)ethenyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(1-methoxycyclopentyl)-5-[(E)-2-(1H-pyrazol-4-yl)ethenyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(1-methoxycyclopentyl)-5-[(E)-2-(1H-pyrazol-4-yl)ethenyl]-1,2,4-oxadiazole is COC1(c2noc(/C=C/c3cn[nH]c3)n2)CCCC1.
What is the InChIKey of 3-(1-methoxycyclopentyl)-5-[(E)-2-(1H-pyrazol-4-yl)ethenyl]-1,2,4-oxadiazole?
The InChIKey is ORQTYKQEFSUGNN-SNAWJCMRSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-18-13(6-2-3-7-13)12-16-11(19-17-12)5-4-10-8-14-15-9-10/h4-5,8-9H,2-3,6-7H2,1H3,(H,14,15)/b5-4+.
What are the key properties of 3-(1-methoxycyclopentyl)-5-[(E)-2-(1H-pyrazol-4-yl)ethenyl]-1,2,4-oxadiazole?
3-(1-methoxycyclopentyl)-5-[(E)-2-(1H-pyrazol-4-yl)ethenyl]-1,2,4-oxadiazole has a molecular weight of 260.30 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methoxycyclopentyl)-5-[(E)-2-(1H-pyrazol-4-yl)ethenyl]-1,2,4-oxadiazole is sourced from PubChem (CID 167982034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).