3-(5-thiomorpholin-3-yl-1,2,4-oxadiazol-3-yl)phenol

C12H13N3O2S — CID 82624502

IUPAC3-(5-thiomorpholin-3-yl-1,2,4-oxadiazol-3-yl)phenol
SMILESOc1cccc(-c2noc(C3CSCCN3)n2)c1
InChIInChI=1S/C12H13N3O2S/c16-9-3-1-2-8(6-9)11-14-12(17-15-11)10-7-18-5-4-13-10/h1-3,6,10,13,16H,4-5,7H2
InChIKeyLTZGWPCEXJNMJB-UHFFFAOYSA-N
MW263.32 g/mol
LogP1.82
Rot. Bonds2

About 3-(5-thiomorpholin-3-yl-1,2,4-oxadiazol-3-yl)phenol

3-(5-thiomorpholin-3-yl-1,2,4-oxadiazol-3-yl)phenol (PubChem CID 82624502) has the molecular formula C12H13N3O2S and a molecular weight of 263.32 g/mol. Its IUPAC name is 3-(5-thiomorpholin-3-yl-1,2,4-oxadiazol-3-yl)phenol.

Molecular Properties

Compound Name3-(5-thiomorpholin-3-yl-1,2,4-oxadiazol-3-yl)phenol
PubChem CID82624502
Molecular FormulaC12H13N3O2S
Molecular Weight263.32 g/mol
Exact Mass263.07
IUPAC Name3-(5-thiomorpholin-3-yl-1,2,4-oxadiazol-3-yl)phenol
SMILESOc1cccc(-c2noc(C3CSCCN3)n2)c1
InChIInChI=1S/C12H13N3O2S/c16-9-3-1-2-8(6-9)11-14-12(17-15-11)10-7-18-5-4-13-10/h1-3,6,10,13,16H,4-5,7H2
InChIKeyLTZGWPCEXJNMJB-UHFFFAOYSA-N
XLogP1.82
TPSA71.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4-methoxy-3-methylphenyl)-5-thiomorpholin-3-yl-1,2,4-oxadiazole
CID 82904694
3-quinolin-2-yl-5-thiomorpholin-3-yl-1,2,4-oxadiazole
CID 82903542
6-[5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]naphthalen-2-ol
CID 137054165
3-(3-methylphenyl)-5-piperidin-2-yl-1,2,4-oxadiazole
CID 43109257
3-(azepan-1-yl)-5-thiomorpholin-3-yl-1,2,4-oxadiazole
CID 116808059
4-(5-piperidin-2-yl-1,2,4-oxadiazol-3-yl)phenol
CID 135973873
3-[5-(1,1-dioxothian-2-yl)-1,2,4-oxadiazol-3-yl]phenol
CID 104520180
5-[(2R)-azetidin-2-yl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole
CID 120841721
3-[5-(methylamino)-1,2,4-oxadiazol-3-yl]phenol
CID 107921953
3-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine;hydrochloride
CID 91663021
3-(2,3-dihydro-1H-inden-1-yl)-5-thiomorpholin-3-yl-1,2,4-oxadiazole
CID 82902403
(3R,5R)-5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 104912148

Frequently Asked Questions

What is the IUPAC name of 3-(5-thiomorpholin-3-yl-1,2,4-oxadiazol-3-yl)phenol?
The IUPAC name of 3-(5-thiomorpholin-3-yl-1,2,4-oxadiazol-3-yl)phenol (CID 82624502) is 3-(5-thiomorpholin-3-yl-1,2,4-oxadiazol-3-yl)phenol.
What is the SMILES notation for 3-(5-thiomorpholin-3-yl-1,2,4-oxadiazol-3-yl)phenol?
The canonical SMILES for 3-(5-thiomorpholin-3-yl-1,2,4-oxadiazol-3-yl)phenol is Oc1cccc(-c2noc(C3CSCCN3)n2)c1.
What is the InChIKey of 3-(5-thiomorpholin-3-yl-1,2,4-oxadiazol-3-yl)phenol?
The InChIKey is LTZGWPCEXJNMJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2S/c16-9-3-1-2-8(6-9)11-14-12(17-15-11)10-7-18-5-4-13-10/h1-3,6,10,13,16H,4-5,7H2.
What are the key properties of 3-(5-thiomorpholin-3-yl-1,2,4-oxadiazol-3-yl)phenol?
3-(5-thiomorpholin-3-yl-1,2,4-oxadiazol-3-yl)phenol has a molecular weight of 263.32 g/mol, XLogP of 1.82, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-thiomorpholin-3-yl-1,2,4-oxadiazol-3-yl)phenol is sourced from PubChem (CID 82624502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).