2-cyclopentyl-6-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-3-methyl-5-phenylmethoxypyrimidin-4-one

C26H25FN4O3 — CID 58458939

IUPAC2-cyclopentyl-6-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-3-methyl-5-phenylmethoxypyrimidin-4-one
SMILESCn1c(C2CCCC2)nc(-c2nc(Cc3ccc(F)cc3)no2)c(OCc2ccccc2)c1=O
InChIInChI=1S/C26H25FN4O3/c1-31-24(19-9-5-6-10-19)29-22(23(26(31)32)33-16-18-7-3-2-4-8-18)25-28-21(30-34-25)15-17-11-13-20(27)14-12-17/h2-4,7-8,11-14,19H,5-6,9-10,15-16H2,1H3
InChIKeyUHHKFGJRTGWCBX-UHFFFAOYSA-N
MW460.51 g/mol
LogP4.80
Rot. Bonds7

About 2-cyclopentyl-6-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-3-methyl-5-phenylmethoxypyrimidin-4-one

2-cyclopentyl-6-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-3-methyl-5-phenylmethoxypyrimidin-4-one (PubChem CID 58458939) has the molecular formula C26H25FN4O3 and a molecular weight of 460.51 g/mol. Its IUPAC name is 2-cyclopentyl-6-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-3-methyl-5-phenylmethoxypyrimidin-4-one.

Molecular Properties

Compound Name2-cyclopentyl-6-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-3-methyl-5-phenylmethoxypyrimidin-4-one
PubChem CID58458939
Molecular FormulaC26H25FN4O3
Molecular Weight460.51 g/mol
Exact Mass460.19
IUPAC Name2-cyclopentyl-6-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-3-methyl-5-phenylmethoxypyrimidin-4-one
SMILESCn1c(C2CCCC2)nc(-c2nc(Cc3ccc(F)cc3)no2)c(OCc2ccccc2)c1=O
InChIInChI=1S/C26H25FN4O3/c1-31-24(19-9-5-6-10-19)29-22(23(26(31)32)33-16-18-7-3-2-4-8-18)25-28-21(30-34-25)15-17-11-13-20(27)14-12-17/h2-4,7-8,11-14,19H,5-6,9-10,15-16H2,1H3
InChIKeyUHHKFGJRTGWCBX-UHFFFAOYSA-N
XLogP4.80
TPSA83.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.51
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-6-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-3-methyl-5-phenylmethoxypyrimidin-4-one?
The IUPAC name of 2-cyclopentyl-6-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-3-methyl-5-phenylmethoxypyrimidin-4-one (CID 58458939) is 2-cyclopentyl-6-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-3-methyl-5-phenylmethoxypyrimidin-4-one.
What is the SMILES notation for 2-cyclopentyl-6-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-3-methyl-5-phenylmethoxypyrimidin-4-one?
The canonical SMILES for 2-cyclopentyl-6-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-3-methyl-5-phenylmethoxypyrimidin-4-one is Cn1c(C2CCCC2)nc(-c2nc(Cc3ccc(F)cc3)no2)c(OCc2ccccc2)c1=O.
What is the InChIKey of 2-cyclopentyl-6-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-3-methyl-5-phenylmethoxypyrimidin-4-one?
The InChIKey is UHHKFGJRTGWCBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25FN4O3/c1-31-24(19-9-5-6-10-19)29-22(23(26(31)32)33-16-18-7-3-2-4-8-18)25-28-21(30-34-25)15-17-11-13-20(27)14-12-17/h2-4,7-8,11-14,19H,5-6,9-10,15-16H2,1H3.
What are the key properties of 2-cyclopentyl-6-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-3-methyl-5-phenylmethoxypyrimidin-4-one?
2-cyclopentyl-6-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-3-methyl-5-phenylmethoxypyrimidin-4-one has a molecular weight of 460.51 g/mol, XLogP of 4.80, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-6-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-3-methyl-5-phenylmethoxypyrimidin-4-one is sourced from PubChem (CID 58458939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).