4-chloro-3-[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]phenol

C13H14ClN3O2S — CID 106503486

IUPAC4-chloro-3-[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]phenol
SMILESCN1CCSCC1c1noc(-c2cc(O)ccc2Cl)n1
InChIInChI=1S/C13H14ClN3O2S/c1-17-4-5-20-7-11(17)12-15-13(19-16-12)9-6-8(18)2-3-10(9)14/h2-3,6,11,18H,4-5,7H2,1H3
InChIKeyPCZTUGFJVRBAGV-UHFFFAOYSA-N
MW311.79 g/mol
LogP2.82
Rot. Bonds2

About 4-chloro-3-[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]phenol

4-chloro-3-[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]phenol (PubChem CID 106503486) has the molecular formula C13H14ClN3O2S and a molecular weight of 311.79 g/mol. Its IUPAC name is 4-chloro-3-[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]phenol.

Molecular Properties

Compound Name4-chloro-3-[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]phenol
PubChem CID106503486
Molecular FormulaC13H14ClN3O2S
Molecular Weight311.79 g/mol
Exact Mass311.05
IUPAC Name4-chloro-3-[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]phenol
SMILESCN1CCSCC1c1noc(-c2cc(O)ccc2Cl)n1
InChIInChI=1S/C13H14ClN3O2S/c1-17-4-5-20-7-11(17)12-15-13(19-16-12)9-6-8(18)2-3-10(9)14/h2-3,6,11,18H,4-5,7H2,1H3
InChIKeyPCZTUGFJVRBAGV-UHFFFAOYSA-N
XLogP2.82
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.79
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-fluoro-2-[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]phenol
CID 136790083
4-fluoro-2-[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]phenol
CID 136693112
4-[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]pyridin-3-ol
CID 136693108
2-[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 103594958
2-methyl-4-[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]phenol
CID 136751355
4-methyl-3-[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 103594731
2,4-dimethyl-6-[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 103594888
5-ethyl-3-[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
CID 103594965
2-fluoro-6-[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]benzonitrile
CID 106527989
5-(2,3-dihydro-1H-isoindol-5-yl)-3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazole
CID 103594858
4-methyl-2-[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]thiophen-3-amine
CID 103594952
2-[[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]phenol
CID 106446131

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]phenol?
The IUPAC name of 4-chloro-3-[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]phenol (CID 106503486) is 4-chloro-3-[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]phenol.
What is the SMILES notation for 4-chloro-3-[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]phenol?
The canonical SMILES for 4-chloro-3-[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]phenol is CN1CCSCC1c1noc(-c2cc(O)ccc2Cl)n1.
What is the InChIKey of 4-chloro-3-[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]phenol?
The InChIKey is PCZTUGFJVRBAGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O2S/c1-17-4-5-20-7-11(17)12-15-13(19-16-12)9-6-8(18)2-3-10(9)14/h2-3,6,11,18H,4-5,7H2,1H3.
What are the key properties of 4-chloro-3-[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]phenol?
4-chloro-3-[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]phenol has a molecular weight of 311.79 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]phenol is sourced from PubChem (CID 106503486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).