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

C14H17N3O2S — CID 66434620

IUPAC2-[[3-(phenylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine
SMILESc1ccc(SCc2noc(CC3CNCCO3)n2)cc1
InChIInChI=1S/C14H17N3O2S/c1-2-4-12(5-3-1)20-10-13-16-14(19-17-13)8-11-9-15-6-7-18-11/h1-5,11,15H,6-10H2
InChIKeyVHMCEVMDRQZUJV-UHFFFAOYSA-N
MW291.38 g/mol
LogP1.89
Rot. Bonds5

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

2-[[3-(phenylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine (PubChem CID 66434620) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is 2-[[3-(phenylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine.

Molecular Properties

Compound Name2-[[3-(phenylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine
PubChem CID66434620
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name2-[[3-(phenylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine
SMILESc1ccc(SCc2noc(CC3CNCCO3)n2)cc1
InChIInChI=1S/C14H17N3O2S/c1-2-4-12(5-3-1)20-10-13-16-14(19-17-13)8-11-9-15-6-7-18-11/h1-5,11,15H,6-10H2
InChIKeyVHMCEVMDRQZUJV-UHFFFAOYSA-N
XLogP1.89
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-(phenylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine?
The IUPAC name of 2-[[3-(phenylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine (CID 66434620) is 2-[[3-(phenylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine.
What is the SMILES notation for 2-[[3-(phenylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine?
The canonical SMILES for 2-[[3-(phenylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine is c1ccc(SCc2noc(CC3CNCCO3)n2)cc1.
What is the InChIKey of 2-[[3-(phenylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine?
The InChIKey is VHMCEVMDRQZUJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-2-4-12(5-3-1)20-10-13-16-14(19-17-13)8-11-9-15-6-7-18-11/h1-5,11,15H,6-10H2.
What are the key properties of 2-[[3-(phenylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine?
2-[[3-(phenylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine has a molecular weight of 291.38 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(phenylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine is sourced from PubChem (CID 66434620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).