2-[5-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1,2,4-oxadiazol-3-yl]morpholine

C14H17N3O2S — CID 103971824

IUPAC2-[5-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1,2,4-oxadiazol-3-yl]morpholine
SMILESc1cc2c(s1)CCCC2c1nc(C2CNCCO2)no1
InChIInChI=1S/C14H17N3O2S/c1-2-10(9-4-7-20-12(9)3-1)14-16-13(17-19-14)11-8-15-5-6-18-11/h4,7,10-11,15H,1-3,5-6,8H2
InChIKeyCPHIZDNFBGSMTO-UHFFFAOYSA-N
MW291.38 g/mol
LogP2.26
Rot. Bonds2

About 2-[5-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1,2,4-oxadiazol-3-yl]morpholine

2-[5-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1,2,4-oxadiazol-3-yl]morpholine (PubChem CID 103971824) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is 2-[5-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1,2,4-oxadiazol-3-yl]morpholine.

Molecular Properties

Compound Name2-[5-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1,2,4-oxadiazol-3-yl]morpholine
PubChem CID103971824
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name2-[5-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1,2,4-oxadiazol-3-yl]morpholine
SMILESc1cc2c(s1)CCCC2c1nc(C2CNCCO2)no1
InChIInChI=1S/C14H17N3O2S/c1-2-10(9-4-7-20-12(9)3-1)14-16-13(17-19-14)11-8-15-5-6-18-11/h4,7,10-11,15H,1-3,5-6,8H2
InChIKeyCPHIZDNFBGSMTO-UHFFFAOYSA-N
XLogP2.26
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[5-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1,2,4-oxadiazol-3-yl]morpholine with MolForge

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Related Compounds

2-[5-(2,3-dihydro-1-benzofuran-3-yl)-1,2,4-oxadiazol-3-yl]morpholine
CID 103971991
2-(5-cyclooctyl-1,2,4-oxadiazol-3-yl)morpholine
CID 103972025
2-[5-(2-methyloxolan-3-yl)-1,2,4-oxadiazol-3-yl]morpholine
CID 103972028
2-amino-2-[5-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1,2,4-oxadiazol-3-yl]ethanol
CID 113435308
2-[3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1,2,4-oxadiazol-5-yl]morpholine
CID 64982138
2-[5-(2-bicyclo[2.2.1]heptanyl)-1,2,4-oxadiazol-3-yl]morpholine
CID 103972015
(2R)-2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)morpholine;hydrochloride
CID 120835614
2-[5-(1,2-oxazol-3-yl)-1,2,4-oxadiazol-3-yl]morpholine
CID 103971807
2-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]morpholine
CID 103971788
2-(5-pyrimidin-5-yl-1,2,4-oxadiazol-3-yl)morpholine
CID 104630877
2-[5-(3,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]morpholine
CID 103971796
2-[5-[(3-bromophenyl)methyl]-1,2,4-oxadiazol-3-yl]morpholine
CID 103971859

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1,2,4-oxadiazol-3-yl]morpholine?
The IUPAC name of 2-[5-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1,2,4-oxadiazol-3-yl]morpholine (CID 103971824) is 2-[5-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1,2,4-oxadiazol-3-yl]morpholine.
What is the SMILES notation for 2-[5-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1,2,4-oxadiazol-3-yl]morpholine?
The canonical SMILES for 2-[5-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1,2,4-oxadiazol-3-yl]morpholine is c1cc2c(s1)CCCC2c1nc(C2CNCCO2)no1.
What is the InChIKey of 2-[5-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1,2,4-oxadiazol-3-yl]morpholine?
The InChIKey is CPHIZDNFBGSMTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-2-10(9-4-7-20-12(9)3-1)14-16-13(17-19-14)11-8-15-5-6-18-11/h4,7,10-11,15H,1-3,5-6,8H2.
What are the key properties of 2-[5-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1,2,4-oxadiazol-3-yl]morpholine?
2-[5-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1,2,4-oxadiazol-3-yl]morpholine has a molecular weight of 291.38 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1,2,4-oxadiazol-3-yl]morpholine is sourced from PubChem (CID 103971824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).