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

C16H26N2O3 — CID 116780801

IUPAC2-[3-(1-ethoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-ol
SMILESCCOC1(c2noc(C3CCCC3O)n2)CCC(C)CC1
InChIInChI=1S/C16H26N2O3/c1-3-20-16(9-7-11(2)8-10-16)15-17-14(21-18-15)12-5-4-6-13(12)19/h11-13,19H,3-10H2,1-2H3
InChIKeyVYMSZOGJTAQVDF-UHFFFAOYSA-N
MW294.39 g/mol
LogP3.14
Rot. Bonds4

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

2-[3-(1-ethoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-ol (PubChem CID 116780801) has the molecular formula C16H26N2O3 and a molecular weight of 294.39 g/mol. Its IUPAC name is 2-[3-(1-ethoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-ol.

Molecular Properties

Compound Name2-[3-(1-ethoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-ol
PubChem CID116780801
Molecular FormulaC16H26N2O3
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC Name2-[3-(1-ethoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-ol
SMILESCCOC1(c2noc(C3CCCC3O)n2)CCC(C)CC1
InChIInChI=1S/C16H26N2O3/c1-3-20-16(9-7-11(2)8-10-16)15-17-14(21-18-15)12-5-4-6-13(12)19/h11-13,19H,3-10H2,1-2H3
InChIKeyVYMSZOGJTAQVDF-UHFFFAOYSA-N
XLogP3.14
TPSA68.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1-ethoxy-4-methylcyclohexyl)-5-piperidin-2-yl-1,2,4-oxadiazole
CID 116742659
2-[3-(1-methoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-ol
CID 116780818
3-(1-ethoxy-4-methylcyclohexyl)-1,2,4-oxadiazole-5-carbaldehyde
CID 116780415
2-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 116741436
[2-[3-(4-ethoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine
CID 116742329
4-[3-(1-ethoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-1-ol
CID 116781736
2-[3-(1-ethoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]thiophen-3-ol
CID 137017797
N-[[3-(1-ethoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 116742591
3-[3-(1-ethoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-2-one
CID 116780409
4-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-one
CID 116780291
3-(1-ethoxycyclopentyl)-5-piperidin-4-yl-1,2,4-oxadiazole
CID 116741504
2-[3-(1-ethoxycyclohexyl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carbonitrile
CID 106527661

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-ethoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-ol?
The IUPAC name of 2-[3-(1-ethoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-ol (CID 116780801) is 2-[3-(1-ethoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-ol.
What is the SMILES notation for 2-[3-(1-ethoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-ol?
The canonical SMILES for 2-[3-(1-ethoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-ol is CCOC1(c2noc(C3CCCC3O)n2)CCC(C)CC1.
What is the InChIKey of 2-[3-(1-ethoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-ol?
The InChIKey is VYMSZOGJTAQVDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-3-20-16(9-7-11(2)8-10-16)15-17-14(21-18-15)12-5-4-6-13(12)19/h11-13,19H,3-10H2,1-2H3.
What are the key properties of 2-[3-(1-ethoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-ol?
2-[3-(1-ethoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-ol has a molecular weight of 294.39 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-ethoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-ol is sourced from PubChem (CID 116780801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).