2-[3-(1-ethoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]thiophen-3-ol

C15H20N2O3S — CID 137017797

IUPAC2-[3-(1-ethoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]thiophen-3-ol
SMILESCCOC1(c2noc(-c3sccc3O)n2)CCC(C)CC1
InChIInChI=1S/C15H20N2O3S/c1-3-19-15(7-4-10(2)5-8-15)14-16-13(20-17-14)12-11(18)6-9-21-12/h6,9-10,18H,3-5,7-8H2,1-2H3
InChIKeyDLBUPCGDBJKPPY-UHFFFAOYSA-N
MW308.40 g/mol
LogP3.95
Rot. Bonds4

About 2-[3-(1-ethoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]thiophen-3-ol

2-[3-(1-ethoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]thiophen-3-ol (PubChem CID 137017797) has the molecular formula C15H20N2O3S and a molecular weight of 308.40 g/mol. Its IUPAC name is 2-[3-(1-ethoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]thiophen-3-ol.

Molecular Properties

Compound Name2-[3-(1-ethoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]thiophen-3-ol
PubChem CID137017797
Molecular FormulaC15H20N2O3S
Molecular Weight308.40 g/mol
Exact Mass308.12
IUPAC Name2-[3-(1-ethoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]thiophen-3-ol
SMILESCCOC1(c2noc(-c3sccc3O)n2)CCC(C)CC1
InChIInChI=1S/C15H20N2O3S/c1-3-19-15(7-4-10(2)5-8-15)14-16-13(20-17-14)12-11(18)6-9-21-12/h6,9-10,18H,3-5,7-8H2,1-2H3
InChIKeyDLBUPCGDBJKPPY-UHFFFAOYSA-N
XLogP3.95
TPSA68.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_hydroxy(28)', 'substructure': 'N/A'}

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Related Compounds

2-[3-(1-methoxy-4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]thiophen-3-ol
CID 137017804
2-[3-(4-ethoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]thiophen-3-amine
CID 116742281
3-(1-ethoxy-4-methylcyclohexyl)-1,2,4-oxadiazole-5-carbaldehyde
CID 116780415
2-[3-(1-ethoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-ol
CID 116780801
N-[[3-(1-ethoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 116742591
4-[3-(1-ethoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-1-ol
CID 116781736
N-[[3-(1-ethoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]prop-2-yn-1-amine
CID 116742654
2-amino-4-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136872367
3-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-2-methylphenol
CID 116781646
3-[3-(1-ethoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-2-one
CID 116780409
3-[3-(1-ethoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 116781360
3-(1-ethoxy-4-methylcyclohexyl)-5-piperidin-2-yl-1,2,4-oxadiazole
CID 116742659

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-ethoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]thiophen-3-ol?
The IUPAC name of 2-[3-(1-ethoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]thiophen-3-ol (CID 137017797) is 2-[3-(1-ethoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]thiophen-3-ol.
What is the SMILES notation for 2-[3-(1-ethoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]thiophen-3-ol?
The canonical SMILES for 2-[3-(1-ethoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]thiophen-3-ol is CCOC1(c2noc(-c3sccc3O)n2)CCC(C)CC1.
What is the InChIKey of 2-[3-(1-ethoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]thiophen-3-ol?
The InChIKey is DLBUPCGDBJKPPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3S/c1-3-19-15(7-4-10(2)5-8-15)14-16-13(20-17-14)12-11(18)6-9-21-12/h6,9-10,18H,3-5,7-8H2,1-2H3.
What are the key properties of 2-[3-(1-ethoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]thiophen-3-ol?
2-[3-(1-ethoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]thiophen-3-ol has a molecular weight of 308.40 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-ethoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]thiophen-3-ol is sourced from PubChem (CID 137017797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).