3-cyclopentyl-5-(4-phenyloxan-4-yl)-1,2,4-oxadiazole

C18H22N2O2 — CID 56785001

IUPAC3-cyclopentyl-5-(4-phenyloxan-4-yl)-1,2,4-oxadiazole
SMILESc1ccc(C2(c3nc(C4CCCC4)no3)CCOCC2)cc1
InChIInChI=1S/C18H22N2O2/c1-2-8-15(9-3-1)18(10-12-21-13-11-18)17-19-16(20-22-17)14-6-4-5-7-14/h1-3,8-9,14H,4-7,10-13H2
InChIKeyMMPHHYYMNBSYMQ-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.82
Rot. Bonds3

About 3-cyclopentyl-5-(4-phenyloxan-4-yl)-1,2,4-oxadiazole

3-cyclopentyl-5-(4-phenyloxan-4-yl)-1,2,4-oxadiazole (PubChem CID 56785001) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 3-cyclopentyl-5-(4-phenyloxan-4-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-cyclopentyl-5-(4-phenyloxan-4-yl)-1,2,4-oxadiazole
PubChem CID56785001
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name3-cyclopentyl-5-(4-phenyloxan-4-yl)-1,2,4-oxadiazole
SMILESc1ccc(C2(c3nc(C4CCCC4)no3)CCOCC2)cc1
InChIInChI=1S/C18H22N2O2/c1-2-8-15(9-3-1)18(10-12-21-13-11-18)17-19-16(20-22-17)14-6-4-5-7-14/h1-3,8-9,14H,4-7,10-13H2
InChIKeyMMPHHYYMNBSYMQ-UHFFFAOYSA-N
XLogP3.82
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[4-(4-Bromophenyl)oxan-4-yl]-3-(methoxymethyl)-1,2,4-oxadiazole
CID 53620763
5-[4-(4-Chlorophenyl)oxan-4-yl]-3-(methoxymethyl)-1,2,4-oxadiazole
CID 53620776
1-(2-{3-[3-(4-Fluorophenyl)tetrahydrofuran-3-yl]-1,2,4-oxadiazol-5-yl}ethyl)piperidin-2-one
CID 56700790
2-(2-{3-[3-(4-Fluorophenyl)tetrahydrofuran-3-yl]-1,2,4-oxadiazol-5-yl}ethyl)-1,2-oxazinane
CID 56718612
5-[4-(3-Chlorophenyl)oxan-4-yl]-3-(methoxymethyl)-1,2,4-oxadiazole
CID 56785007
5-[1-(4-Fluorophenyl)cyclobutyl]-3-(methoxymethyl)-1,2,4-oxadiazole
CID 71924872
5-[1-(4-Fluorophenyl)cyclopropyl]-3-(methoxymethyl)-1,2,4-oxadiazole
CID 71924875
5-[4-(4-Fluorophenyl)oxan-4-yl]-3-(methoxymethyl)-1,2,4-oxadiazole
CID 72043276
5-[2-(3,4-Difluorophenyl)ethyl]-3-(tetrahydrofuran-3-yl)-1,2,4-oxadiazole
CID 72868526
2-(3-Fluorophenyl)-1-(3-{[5-(oxan-4-YL)-1,2,4-oxadiazol-3-YL]methyl}pyrrolidin-1-YL)ethan-1-one
CID 91915859
Sdccgsbi-0115129.P001
CID 45196419
5-[1,1-difluoro-2-[(2S,4R)-4-phenyloxolan-2-yl]ethyl]-3-phenyl-1,2,4-oxadiazole
CID 134972210

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-5-(4-phenyloxan-4-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-cyclopentyl-5-(4-phenyloxan-4-yl)-1,2,4-oxadiazole (CID 56785001) is 3-cyclopentyl-5-(4-phenyloxan-4-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-cyclopentyl-5-(4-phenyloxan-4-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-cyclopentyl-5-(4-phenyloxan-4-yl)-1,2,4-oxadiazole is c1ccc(C2(c3nc(C4CCCC4)no3)CCOCC2)cc1.
What is the InChIKey of 3-cyclopentyl-5-(4-phenyloxan-4-yl)-1,2,4-oxadiazole?
The InChIKey is MMPHHYYMNBSYMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-2-8-15(9-3-1)18(10-12-21-13-11-18)17-19-16(20-22-17)14-6-4-5-7-14/h1-3,8-9,14H,4-7,10-13H2.
What are the key properties of 3-cyclopentyl-5-(4-phenyloxan-4-yl)-1,2,4-oxadiazole?
3-cyclopentyl-5-(4-phenyloxan-4-yl)-1,2,4-oxadiazole has a molecular weight of 298.39 g/mol, XLogP of 3.82, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-5-(4-phenyloxan-4-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 56785001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).