3-(4-methoxy-3-methylphenyl)-5-thiomorpholin-3-yl-1,2,4-oxadiazole

C14H17N3O2S — CID 82904694

IUPAC3-(4-methoxy-3-methylphenyl)-5-thiomorpholin-3-yl-1,2,4-oxadiazole
SMILESCOc1ccc(-c2noc(C3CSCCN3)n2)cc1C
InChIInChI=1S/C14H17N3O2S/c1-9-7-10(3-4-12(9)18-2)13-16-14(19-17-13)11-8-20-6-5-15-11/h3-4,7,11,15H,5-6,8H2,1-2H3
InChIKeySAYYULOKVGZNAM-UHFFFAOYSA-N
MW291.38 g/mol
LogP2.43
Rot. Bonds3

About 3-(4-methoxy-3-methylphenyl)-5-thiomorpholin-3-yl-1,2,4-oxadiazole

3-(4-methoxy-3-methylphenyl)-5-thiomorpholin-3-yl-1,2,4-oxadiazole (PubChem CID 82904694) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is 3-(4-methoxy-3-methylphenyl)-5-thiomorpholin-3-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(4-methoxy-3-methylphenyl)-5-thiomorpholin-3-yl-1,2,4-oxadiazole
PubChem CID82904694
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name3-(4-methoxy-3-methylphenyl)-5-thiomorpholin-3-yl-1,2,4-oxadiazole
SMILESCOc1ccc(-c2noc(C3CSCCN3)n2)cc1C
InChIInChI=1S/C14H17N3O2S/c1-9-7-10(3-4-12(9)18-2)13-16-14(19-17-13)11-8-20-6-5-15-11/h3-4,7,11,15H,5-6,8H2,1-2H3
InChIKeySAYYULOKVGZNAM-UHFFFAOYSA-N
XLogP2.43
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(5-thiomorpholin-3-yl-1,2,4-oxadiazol-3-yl)phenol
CID 82624502
3-(3,4-dimethoxyphenyl)-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole
CID 93251332
3-(3-bromo-4-methoxyphenyl)-5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 106950830
3-(4-methoxy-3,5-dimethylphenyl)-5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 82626027
3-(3,4-dimethoxyphenyl)-5-[5-(2-methylphenyl)pyrazolidin-3-yl]-1,2,4-oxadiazole
CID 75286521
(2R,3S)-3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-methylmorpholine
CID 120955679
3-quinolin-2-yl-5-thiomorpholin-3-yl-1,2,4-oxadiazole
CID 82903542
3-(4-fluoro-3-methylphenyl)-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole
CID 93350964
(1R)-1-[3-(4-methoxy-3-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
CID 104901771
3-(3-bromo-4-methoxyphenyl)-5-[(2R,4S)-4-methoxypyrrolidin-2-yl]-1,2,4-oxadiazole
CID 106950705
3-[(4-methylphenyl)sulfanylmethyl]-5-thiomorpholin-3-yl-1,2,4-oxadiazole
CID 82904775
5-cyclohexyl-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole
CID 957265

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxy-3-methylphenyl)-5-thiomorpholin-3-yl-1,2,4-oxadiazole?
The IUPAC name of 3-(4-methoxy-3-methylphenyl)-5-thiomorpholin-3-yl-1,2,4-oxadiazole (CID 82904694) is 3-(4-methoxy-3-methylphenyl)-5-thiomorpholin-3-yl-1,2,4-oxadiazole.
What is the SMILES notation for 3-(4-methoxy-3-methylphenyl)-5-thiomorpholin-3-yl-1,2,4-oxadiazole?
The canonical SMILES for 3-(4-methoxy-3-methylphenyl)-5-thiomorpholin-3-yl-1,2,4-oxadiazole is COc1ccc(-c2noc(C3CSCCN3)n2)cc1C.
What is the InChIKey of 3-(4-methoxy-3-methylphenyl)-5-thiomorpholin-3-yl-1,2,4-oxadiazole?
The InChIKey is SAYYULOKVGZNAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-9-7-10(3-4-12(9)18-2)13-16-14(19-17-13)11-8-20-6-5-15-11/h3-4,7,11,15H,5-6,8H2,1-2H3.
What are the key properties of 3-(4-methoxy-3-methylphenyl)-5-thiomorpholin-3-yl-1,2,4-oxadiazole?
3-(4-methoxy-3-methylphenyl)-5-thiomorpholin-3-yl-1,2,4-oxadiazole has a molecular weight of 291.38 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxy-3-methylphenyl)-5-thiomorpholin-3-yl-1,2,4-oxadiazole is sourced from PubChem (CID 82904694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).