5-chloro-3-[1-(methoxymethyl)cyclopentyl]-1,2,4-oxadiazole

C9H13ClN2O2 — CID 130655967

IUPAC5-chloro-3-[1-(methoxymethyl)cyclopentyl]-1,2,4-oxadiazole
SMILESCOCC1(c2noc(Cl)n2)CCCC1
InChIInChI=1S/C9H13ClN2O2/c1-13-6-9(4-2-3-5-9)7-11-8(10)14-12-7/h2-6H2,1H3
InChIKeyQPNBMTOBVUYCQX-UHFFFAOYSA-N
MW216.67 g/mol
LogP2.18
Rot. Bonds3

About 5-chloro-3-[1-(methoxymethyl)cyclopentyl]-1,2,4-oxadiazole

5-chloro-3-[1-(methoxymethyl)cyclopentyl]-1,2,4-oxadiazole (PubChem CID 130655967) has the molecular formula C9H13ClN2O2 and a molecular weight of 216.67 g/mol. Its IUPAC name is 5-chloro-3-[1-(methoxymethyl)cyclopentyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-chloro-3-[1-(methoxymethyl)cyclopentyl]-1,2,4-oxadiazole
PubChem CID130655967
Molecular FormulaC9H13ClN2O2
Molecular Weight216.67 g/mol
Exact Mass216.07
IUPAC Name5-chloro-3-[1-(methoxymethyl)cyclopentyl]-1,2,4-oxadiazole
SMILESCOCC1(c2noc(Cl)n2)CCCC1
InChIInChI=1S/C9H13ClN2O2/c1-13-6-9(4-2-3-5-9)7-11-8(10)14-12-7/h2-6H2,1H3
InChIKeyQPNBMTOBVUYCQX-UHFFFAOYSA-N
XLogP2.18
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.67
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(3aR,7aS)-1,2,3,4,5,6,7,7a-octahydroindol-3a-yl]-3-[1-(methoxymethyl)cyclopentyl]-1,2,4-oxadiazole
CID 138017448
5-[1-(methoxymethyl)cyclopentyl]-2H-tetrazole
CID 126818421
3-[1-(2-methoxyethyl)cyclopentyl]-1,2,4-oxadiazole-5-carboxamide
CID 139019204
3-[1-(methoxymethyl)cyclohexyl]-5-[2-(1-phenylpyrazol-4-yl)ethyl]-1,2,4-oxadiazole
CID 139003346
3-[(4-chloro-1-methylpyrazol-3-yl)methyl]-5-[1-(methoxymethyl)cyclobutyl]-1,2,4-oxadiazole
CID 167747866
3-(1-adamantyl)-5-chloro-1,2,4-oxadiazole
CID 62796411
(3S)-3-(3,4-dichlorophenyl)-3-(methoxymethyl)piperidine
CID 46245101
5-(2-chloroethyl)-3-(1-methoxycycloheptyl)-1,2,4-oxadiazole
CID 116740039
3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-amine
CID 104609719
5-[2-(cyclopropylmethyl)-1H-imidazo[4,5-b]pyridin-7-yl]-3-[1-(methoxymethyl)cyclopropyl]-1,2,4-oxadiazole
CID 136570270
5-[3-(methoxymethyl)pyrrolidin-3-yl]-3-[4-(4-methylphenyl)oxan-4-yl]-1,2,4-oxadiazole
CID 167761753
1-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-N-methylmethanamine
CID 104609708

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-[1-(methoxymethyl)cyclopentyl]-1,2,4-oxadiazole?
The IUPAC name of 5-chloro-3-[1-(methoxymethyl)cyclopentyl]-1,2,4-oxadiazole (CID 130655967) is 5-chloro-3-[1-(methoxymethyl)cyclopentyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-chloro-3-[1-(methoxymethyl)cyclopentyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-chloro-3-[1-(methoxymethyl)cyclopentyl]-1,2,4-oxadiazole is COCC1(c2noc(Cl)n2)CCCC1.
What is the InChIKey of 5-chloro-3-[1-(methoxymethyl)cyclopentyl]-1,2,4-oxadiazole?
The InChIKey is QPNBMTOBVUYCQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2O2/c1-13-6-9(4-2-3-5-9)7-11-8(10)14-12-7/h2-6H2,1H3.
What are the key properties of 5-chloro-3-[1-(methoxymethyl)cyclopentyl]-1,2,4-oxadiazole?
5-chloro-3-[1-(methoxymethyl)cyclopentyl]-1,2,4-oxadiazole has a molecular weight of 216.67 g/mol, XLogP of 2.18, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-[1-(methoxymethyl)cyclopentyl]-1,2,4-oxadiazole is sourced from PubChem (CID 130655967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).