2-[methyl-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]amino]cyclohexan-1-ol

C14H19N3O2S — CID 102636569

IUPAC2-[methyl-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]amino]cyclohexan-1-ol
SMILESCN(Cc1noc(-c2ccsc2)n1)C1CCCCC1O
InChIInChI=1S/C14H19N3O2S/c1-17(11-4-2-3-5-12(11)18)8-13-15-14(19-16-13)10-6-7-20-9-10/h6-7,9,11-12,18H,2-5,8H2,1H3
InChIKeyCLZJGDXHQGXLER-UHFFFAOYSA-N
MW293.39 g/mol
LogP2.53
Rot. Bonds4

About 2-[methyl-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]amino]cyclohexan-1-ol

2-[methyl-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]amino]cyclohexan-1-ol (PubChem CID 102636569) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is 2-[methyl-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[methyl-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]amino]cyclohexan-1-ol
PubChem CID102636569
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC Name2-[methyl-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]amino]cyclohexan-1-ol
SMILESCN(Cc1noc(-c2ccsc2)n1)C1CCCCC1O
InChIInChI=1S/C14H19N3O2S/c1-17(11-4-2-3-5-12(11)18)8-13-15-14(19-16-13)10-6-7-20-9-10/h6-7,9,11-12,18H,2-5,8H2,1H3
InChIKeyCLZJGDXHQGXLER-UHFFFAOYSA-N
XLogP2.53
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]amino]cyclohexan-1-ol?
The IUPAC name of 2-[methyl-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]amino]cyclohexan-1-ol (CID 102636569) is 2-[methyl-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]amino]cyclohexan-1-ol.
What is the SMILES notation for 2-[methyl-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]amino]cyclohexan-1-ol?
The canonical SMILES for 2-[methyl-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]amino]cyclohexan-1-ol is CN(Cc1noc(-c2ccsc2)n1)C1CCCCC1O.
What is the InChIKey of 2-[methyl-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]amino]cyclohexan-1-ol?
The InChIKey is CLZJGDXHQGXLER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S/c1-17(11-4-2-3-5-12(11)18)8-13-15-14(19-16-13)10-6-7-20-9-10/h6-7,9,11-12,18H,2-5,8H2,1H3.
What are the key properties of 2-[methyl-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]amino]cyclohexan-1-ol?
2-[methyl-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]amino]cyclohexan-1-ol has a molecular weight of 293.39 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]amino]cyclohexan-1-ol is sourced from PubChem (CID 102636569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).