[1-(3-fluorophenyl)cyclopentyl]-[(3R)-3-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]methanone

C25H27FN4O2 — CID 92554748

IUPAC[1-(3-fluorophenyl)cyclopentyl]-[(3R)-3-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]methanone
SMILESCc1cc(-c2cncnc2[C@@H]2CCCN(C(=O)C3(c4cccc(F)c4)CCCC3)C2)on1
InChIInChI=1S/C25H27FN4O2/c1-17-12-22(32-29-17)21-14-27-16-28-23(21)18-6-5-11-30(15-18)24(31)25(9-2-3-10-25)19-7-4-8-20(26)13-19/h4,7-8,12-14,16,18H,2-3,5-6,9-11,15H2,1H3/t18-/m1/s1
InChIKeyFHOBMRGIEYHROK-GOSISDBHSA-N
MW434.52 g/mol
LogP4.80
Rot. Bonds4

About [1-(3-fluorophenyl)cyclopentyl]-[(3R)-3-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]methanone

[1-(3-fluorophenyl)cyclopentyl]-[(3R)-3-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]methanone (PubChem CID 92554748) has the molecular formula C25H27FN4O2 and a molecular weight of 434.52 g/mol. Its IUPAC name is [1-(3-fluorophenyl)cyclopentyl]-[(3R)-3-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name[1-(3-fluorophenyl)cyclopentyl]-[(3R)-3-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]methanone
PubChem CID92554748
Molecular FormulaC25H27FN4O2
Molecular Weight434.52 g/mol
Exact Mass434.21
IUPAC Name[1-(3-fluorophenyl)cyclopentyl]-[(3R)-3-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]methanone
SMILESCc1cc(-c2cncnc2[C@@H]2CCCN(C(=O)C3(c4cccc(F)c4)CCCC3)C2)on1
InChIInChI=1S/C25H27FN4O2/c1-17-12-22(32-29-17)21-14-27-16-28-23(21)18-6-5-11-30(15-18)24(31)25(9-2-3-10-25)19-7-4-8-20(26)13-19/h4,7-8,12-14,16,18H,2-3,5-6,9-11,15H2,1H3/t18-/m1/s1
InChIKeyFHOBMRGIEYHROK-GOSISDBHSA-N
XLogP4.80
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.52
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(3-fluorophenyl)cyclopentyl]-[(3R)-3-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]methanone?
The IUPAC name of [1-(3-fluorophenyl)cyclopentyl]-[(3R)-3-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]methanone (CID 92554748) is [1-(3-fluorophenyl)cyclopentyl]-[(3R)-3-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]methanone.
What is the SMILES notation for [1-(3-fluorophenyl)cyclopentyl]-[(3R)-3-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]methanone?
The canonical SMILES for [1-(3-fluorophenyl)cyclopentyl]-[(3R)-3-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]methanone is Cc1cc(-c2cncnc2[C@@H]2CCCN(C(=O)C3(c4cccc(F)c4)CCCC3)C2)on1.
What is the InChIKey of [1-(3-fluorophenyl)cyclopentyl]-[(3R)-3-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]methanone?
The InChIKey is FHOBMRGIEYHROK-GOSISDBHSA-N. The full InChI is InChI=1S/C25H27FN4O2/c1-17-12-22(32-29-17)21-14-27-16-28-23(21)18-6-5-11-30(15-18)24(31)25(9-2-3-10-25)19-7-4-8-20(26)13-19/h4,7-8,12-14,16,18H,2-3,5-6,9-11,15H2,1H3/t18-/m1/s1.
What are the key properties of [1-(3-fluorophenyl)cyclopentyl]-[(3R)-3-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]methanone?
[1-(3-fluorophenyl)cyclopentyl]-[(3R)-3-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]methanone has a molecular weight of 434.52 g/mol, XLogP of 4.80, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-fluorophenyl)cyclopentyl]-[(3R)-3-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 92554748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).