4-[5-(1-cyclohexyloxypropyl)-1,2,4-oxadiazol-3-yl]-1H-pyrimidin-6-one

C15H20N4O3 — CID 136561345

IUPAC4-[5-(1-cyclohexyloxypropyl)-1,2,4-oxadiazol-3-yl]-1H-pyrimidin-6-one
SMILESCCC(OC1CCCCC1)c1nc(-c2cc(=O)[nH]cn2)no1
InChIInChI=1S/C15H20N4O3/c1-2-12(21-10-6-4-3-5-7-10)15-18-14(19-22-15)11-8-13(20)17-9-16-11/h8-10,12H,2-7H2,1H3,(H,16,17,20)
InChIKeyGELMXAARLORMMV-UHFFFAOYSA-N
MW304.35 g/mol
LogP2.62
Rot. Bonds5

About 4-[5-(1-cyclohexyloxypropyl)-1,2,4-oxadiazol-3-yl]-1H-pyrimidin-6-one

4-[5-(1-cyclohexyloxypropyl)-1,2,4-oxadiazol-3-yl]-1H-pyrimidin-6-one (PubChem CID 136561345) has the molecular formula C15H20N4O3 and a molecular weight of 304.35 g/mol. Its IUPAC name is 4-[5-(1-cyclohexyloxypropyl)-1,2,4-oxadiazol-3-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[5-(1-cyclohexyloxypropyl)-1,2,4-oxadiazol-3-yl]-1H-pyrimidin-6-one
PubChem CID136561345
Molecular FormulaC15H20N4O3
Molecular Weight304.35 g/mol
Exact Mass304.15
IUPAC Name4-[5-(1-cyclohexyloxypropyl)-1,2,4-oxadiazol-3-yl]-1H-pyrimidin-6-one
SMILESCCC(OC1CCCCC1)c1nc(-c2cc(=O)[nH]cn2)no1
InChIInChI=1S/C15H20N4O3/c1-2-12(21-10-6-4-3-5-7-10)15-18-14(19-22-15)11-8-13(20)17-9-16-11/h8-10,12H,2-7H2,1H3,(H,16,17,20)
InChIKeyGELMXAARLORMMV-UHFFFAOYSA-N
XLogP2.62
TPSA93.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(1-cyclohexyloxypropyl)-1,2,4-oxadiazol-3-yl]-1H-pyrimidin-6-one?
The IUPAC name of 4-[5-(1-cyclohexyloxypropyl)-1,2,4-oxadiazol-3-yl]-1H-pyrimidin-6-one (CID 136561345) is 4-[5-(1-cyclohexyloxypropyl)-1,2,4-oxadiazol-3-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[5-(1-cyclohexyloxypropyl)-1,2,4-oxadiazol-3-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[5-(1-cyclohexyloxypropyl)-1,2,4-oxadiazol-3-yl]-1H-pyrimidin-6-one is CCC(OC1CCCCC1)c1nc(-c2cc(=O)[nH]cn2)no1.
What is the InChIKey of 4-[5-(1-cyclohexyloxypropyl)-1,2,4-oxadiazol-3-yl]-1H-pyrimidin-6-one?
The InChIKey is GELMXAARLORMMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3/c1-2-12(21-10-6-4-3-5-7-10)15-18-14(19-22-15)11-8-13(20)17-9-16-11/h8-10,12H,2-7H2,1H3,(H,16,17,20).
What are the key properties of 4-[5-(1-cyclohexyloxypropyl)-1,2,4-oxadiazol-3-yl]-1H-pyrimidin-6-one?
4-[5-(1-cyclohexyloxypropyl)-1,2,4-oxadiazol-3-yl]-1H-pyrimidin-6-one has a molecular weight of 304.35 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(1-cyclohexyloxypropyl)-1,2,4-oxadiazol-3-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136561345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).