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

C15H18N2O4 — CID 103399802

IUPAC2-[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-ol
SMILESCOc1cc(OC)cc(-c2noc(C3CCCC3O)n2)c1
InChIInChI=1S/C15H18N2O4/c1-19-10-6-9(7-11(8-10)20-2)14-16-15(21-17-14)12-4-3-5-13(12)18/h6-8,12-13,18H,3-5H2,1-2H3
InChIKeyJVBAKLUZMUZCHM-UHFFFAOYSA-N
MW290.32 g/mol
LogP2.38
Rot. Bonds4

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

2-[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-ol (PubChem CID 103399802) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is 2-[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-ol.

Molecular Properties

Compound Name2-[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-ol
PubChem CID103399802
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name2-[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-ol
SMILESCOc1cc(OC)cc(-c2noc(C3CCCC3O)n2)c1
InChIInChI=1S/C15H18N2O4/c1-19-10-6-9(7-11(8-10)20-2)14-16-15(21-17-14)12-4-3-5-13(12)18/h6-8,12-13,18H,3-5H2,1-2H3
InChIKeyJVBAKLUZMUZCHM-UHFFFAOYSA-N
XLogP2.38
TPSA77.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol
CID 63345681
2-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-ol
CID 102953014
trans-(1S,2S)-2-[3-(6-pentoxynaphthalen-2-yl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-ol
CID 159219508
2-[3-(4-methylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol
CID 106849964
2-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-ol
CID 63346258
(2R,3R,4S,5R)-2-[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 46943442
5-cyclopropyl-3-(3-methoxyphenyl)-1,2,4-oxadiazole
CID 19658006
2-[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-ol
CID 79780596
2-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol
CID 81282222
2-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol
CID 65198281
3-(3,5-dimethoxyphenyl)-N-methyl-1,2,4-oxadiazol-5-amine
CID 103399678
2-[3-(2-nitrophenyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-ol
CID 63349196

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-ol?
The IUPAC name of 2-[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-ol (CID 103399802) is 2-[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-ol.
What is the SMILES notation for 2-[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-ol?
The canonical SMILES for 2-[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-ol is COc1cc(OC)cc(-c2noc(C3CCCC3O)n2)c1.
What is the InChIKey of 2-[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-ol?
The InChIKey is JVBAKLUZMUZCHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-19-10-6-9(7-11(8-10)20-2)14-16-15(21-17-14)12-4-3-5-13(12)18/h6-8,12-13,18H,3-5H2,1-2H3.
What are the key properties of 2-[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-ol?
2-[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-ol has a molecular weight of 290.32 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-ol is sourced from PubChem (CID 103399802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).