2-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-ol

C12H14N4O3 — CID 102953014

IUPAC2-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-ol
SMILESCOc1cc(-c2noc(C3CCCC3O)n2)ncn1
InChIInChI=1S/C12H14N4O3/c1-18-10-5-8(13-6-14-10)11-15-12(19-16-11)7-3-2-4-9(7)17/h5-7,9,17H,2-4H2,1H3
InChIKeyWVQOTXSKKWWUAP-UHFFFAOYSA-N
MW262.27 g/mol
LogP1.16
Rot. Bonds3

About 2-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-ol

2-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-ol (PubChem CID 102953014) has the molecular formula C12H14N4O3 and a molecular weight of 262.27 g/mol. Its IUPAC name is 2-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-ol.

Molecular Properties

Compound Name2-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-ol
PubChem CID102953014
Molecular FormulaC12H14N4O3
Molecular Weight262.27 g/mol
Exact Mass262.11
IUPAC Name2-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-ol
SMILESCOc1cc(-c2noc(C3CCCC3O)n2)ncn1
InChIInChI=1S/C12H14N4O3/c1-18-10-5-8(13-6-14-10)11-15-12(19-16-11)7-3-2-4-9(7)17/h5-7,9,17H,2-4H2,1H3
InChIKeyWVQOTXSKKWWUAP-UHFFFAOYSA-N
XLogP1.16
TPSA94.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-ol
CID 103399802
3-(6-methoxypyrimidin-4-yl)-5-(4-methylpiperidin-2-yl)-1,2,4-oxadiazole
CID 102949557
1-cyclopentyl-2-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]ethanone
CID 102952993
2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol
CID 63345681
1-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]ethanol
CID 102953000
N-[[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclopropanamine
CID 102949634
2-[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-ol
CID 79780596
(1R)-1-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 102949609
2-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol
CID 65198281
1-cyclopropyl-2-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]-N-methylethanamine
CID 102953051
3-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]-2,3-dimethylbutan-2-amine
CID 102949614
3-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]oxan-4-ol
CID 106474258

Frequently Asked Questions

What is the IUPAC name of 2-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-ol?
The IUPAC name of 2-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-ol (CID 102953014) is 2-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-ol.
What is the SMILES notation for 2-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-ol?
The canonical SMILES for 2-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-ol is COc1cc(-c2noc(C3CCCC3O)n2)ncn1.
What is the InChIKey of 2-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-ol?
The InChIKey is WVQOTXSKKWWUAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O3/c1-18-10-5-8(13-6-14-10)11-15-12(19-16-11)7-3-2-4-9(7)17/h5-7,9,17H,2-4H2,1H3.
What are the key properties of 2-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-ol?
2-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-ol has a molecular weight of 262.27 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-ol is sourced from PubChem (CID 102953014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).