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

C13H15N3O2S — CID 103971493

IUPAC3-[5-(phenylsulfanylmethyl)-1,2,4-oxadiazol-3-yl]morpholine
SMILESc1ccc(SCc2nc(C3COCCN3)no2)cc1
InChIInChI=1S/C13H15N3O2S/c1-2-4-10(5-3-1)19-9-12-15-13(16-18-12)11-8-17-7-6-14-11/h1-5,11,14H,6-9H2
InChIKeyLIEIPWZIBZZYOR-UHFFFAOYSA-N
MW277.35 g/mol
LogP2.02
Rot. Bonds4

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

3-[5-(phenylsulfanylmethyl)-1,2,4-oxadiazol-3-yl]morpholine (PubChem CID 103971493) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is 3-[5-(phenylsulfanylmethyl)-1,2,4-oxadiazol-3-yl]morpholine.

Molecular Properties

Compound Name3-[5-(phenylsulfanylmethyl)-1,2,4-oxadiazol-3-yl]morpholine
PubChem CID103971493
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC Name3-[5-(phenylsulfanylmethyl)-1,2,4-oxadiazol-3-yl]morpholine
SMILESc1ccc(SCc2nc(C3COCCN3)no2)cc1
InChIInChI=1S/C13H15N3O2S/c1-2-4-10(5-3-1)19-9-12-15-13(16-18-12)11-8-17-7-6-14-11/h1-5,11,14H,6-9H2
InChIKeyLIEIPWZIBZZYOR-UHFFFAOYSA-N
XLogP2.02
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[5-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]morpholine;hydrochloride
CID 75484037
3-(5-naphthalen-2-yl-1,2,4-oxadiazol-3-yl)morpholine
CID 75484051
3-[5-(1-phenylsulfanylcyclopentyl)-1,2,4-oxadiazol-3-yl]morpholine
CID 75475178
(3S)-3-[5-(cycloheptylmethyl)-1,2,4-oxadiazol-3-yl]morpholine
CID 97345709
3-[5-(ethoxymethyl)-1,2,4-oxadiazol-3-yl]morpholine
CID 103971477
3-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]morpholine
CID 113360104
3-[5-[(3-morpholin-4-ylphenyl)methyl]-1,2,4-oxadiazol-3-yl]morpholine
CID 167761295
3-(5-methyl-1,2,4-oxadiazol-3-yl)morpholine
CID 75355392
3-[3-[(4-bromophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]morpholine
CID 66039920
3-[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,2,4-oxadiazol-3-yl]morpholine
CID 103971723
3-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine;hydrochloride
CID 91663021
3-(4-bromophenyl)-5-(phenylsulfanylmethyl)-1,2,4-oxadiazole
CID 895252

Frequently Asked Questions

What is the IUPAC name of 3-[5-(phenylsulfanylmethyl)-1,2,4-oxadiazol-3-yl]morpholine?
The IUPAC name of 3-[5-(phenylsulfanylmethyl)-1,2,4-oxadiazol-3-yl]morpholine (CID 103971493) is 3-[5-(phenylsulfanylmethyl)-1,2,4-oxadiazol-3-yl]morpholine.
What is the SMILES notation for 3-[5-(phenylsulfanylmethyl)-1,2,4-oxadiazol-3-yl]morpholine?
The canonical SMILES for 3-[5-(phenylsulfanylmethyl)-1,2,4-oxadiazol-3-yl]morpholine is c1ccc(SCc2nc(C3COCCN3)no2)cc1.
What is the InChIKey of 3-[5-(phenylsulfanylmethyl)-1,2,4-oxadiazol-3-yl]morpholine?
The InChIKey is LIEIPWZIBZZYOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c1-2-4-10(5-3-1)19-9-12-15-13(16-18-12)11-8-17-7-6-14-11/h1-5,11,14H,6-9H2.
What are the key properties of 3-[5-(phenylsulfanylmethyl)-1,2,4-oxadiazol-3-yl]morpholine?
3-[5-(phenylsulfanylmethyl)-1,2,4-oxadiazol-3-yl]morpholine has a molecular weight of 277.35 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(phenylsulfanylmethyl)-1,2,4-oxadiazol-3-yl]morpholine is sourced from PubChem (CID 103971493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).