3-[5-(1-phenylsulfanylcyclopentyl)-1,2,4-oxadiazol-3-yl]morpholine

C17H21N3O2S — CID 75475178

IUPAC3-[5-(1-phenylsulfanylcyclopentyl)-1,2,4-oxadiazol-3-yl]morpholine
SMILESc1ccc(SC2(c3nc(C4COCCN4)no3)CCCC2)cc1
InChIInChI=1S/C17H21N3O2S/c1-2-6-13(7-3-1)23-17(8-4-5-9-17)16-19-15(20-22-16)14-12-21-11-10-18-14/h1-3,6-7,14,18H,4-5,8-12H2
InChIKeyWKHAMPKMDLMVRF-UHFFFAOYSA-N
MW331.44 g/mol
LogP3.29
Rot. Bonds4

About 3-[5-(1-phenylsulfanylcyclopentyl)-1,2,4-oxadiazol-3-yl]morpholine

3-[5-(1-phenylsulfanylcyclopentyl)-1,2,4-oxadiazol-3-yl]morpholine (PubChem CID 75475178) has the molecular formula C17H21N3O2S and a molecular weight of 331.44 g/mol. Its IUPAC name is 3-[5-(1-phenylsulfanylcyclopentyl)-1,2,4-oxadiazol-3-yl]morpholine.

Molecular Properties

Compound Name3-[5-(1-phenylsulfanylcyclopentyl)-1,2,4-oxadiazol-3-yl]morpholine
PubChem CID75475178
Molecular FormulaC17H21N3O2S
Molecular Weight331.44 g/mol
Exact Mass331.14
IUPAC Name3-[5-(1-phenylsulfanylcyclopentyl)-1,2,4-oxadiazol-3-yl]morpholine
SMILESc1ccc(SC2(c3nc(C4COCCN4)no3)CCCC2)cc1
InChIInChI=1S/C17H21N3O2S/c1-2-6-13(7-3-1)23-17(8-4-5-9-17)16-19-15(20-22-16)14-12-21-11-10-18-14/h1-3,6-7,14,18H,4-5,8-12H2
InChIKeyWKHAMPKMDLMVRF-UHFFFAOYSA-N
XLogP3.29
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(1-phenylsulfanylcyclopentyl)-1,2,4-oxadiazol-3-yl]morpholine?
The IUPAC name of 3-[5-(1-phenylsulfanylcyclopentyl)-1,2,4-oxadiazol-3-yl]morpholine (CID 75475178) is 3-[5-(1-phenylsulfanylcyclopentyl)-1,2,4-oxadiazol-3-yl]morpholine.
What is the SMILES notation for 3-[5-(1-phenylsulfanylcyclopentyl)-1,2,4-oxadiazol-3-yl]morpholine?
The canonical SMILES for 3-[5-(1-phenylsulfanylcyclopentyl)-1,2,4-oxadiazol-3-yl]morpholine is c1ccc(SC2(c3nc(C4COCCN4)no3)CCCC2)cc1.
What is the InChIKey of 3-[5-(1-phenylsulfanylcyclopentyl)-1,2,4-oxadiazol-3-yl]morpholine?
The InChIKey is WKHAMPKMDLMVRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2S/c1-2-6-13(7-3-1)23-17(8-4-5-9-17)16-19-15(20-22-16)14-12-21-11-10-18-14/h1-3,6-7,14,18H,4-5,8-12H2.
What are the key properties of 3-[5-(1-phenylsulfanylcyclopentyl)-1,2,4-oxadiazol-3-yl]morpholine?
3-[5-(1-phenylsulfanylcyclopentyl)-1,2,4-oxadiazol-3-yl]morpholine has a molecular weight of 331.44 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(1-phenylsulfanylcyclopentyl)-1,2,4-oxadiazol-3-yl]morpholine is sourced from PubChem (CID 75475178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).