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

C25H27FN4O2 — CID 16669444

IUPAC[1-(2-fluorophenyl)cyclopentyl]-[4-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]methanone
SMILESCc1cc(-c2cncnc2C2CCN(C(=O)C3(c4ccccc4F)CCCC3)CC2)on1
InChIInChI=1S/C25H27FN4O2/c1-17-14-22(32-29-17)19-15-27-16-28-23(19)18-8-12-30(13-9-18)24(31)25(10-4-5-11-25)20-6-2-3-7-21(20)26/h2-3,6-7,14-16,18H,4-5,8-13H2,1H3
InChIKeyOPQVBSMOECDGKH-UHFFFAOYSA-N
MW434.52 g/mol
LogP4.80
Rot. Bonds4

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

[1-(2-fluorophenyl)cyclopentyl]-[4-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]methanone (PubChem CID 16669444) has the molecular formula C25H27FN4O2 and a molecular weight of 434.52 g/mol. Its IUPAC name is [1-(2-fluorophenyl)cyclopentyl]-[4-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name[1-(2-fluorophenyl)cyclopentyl]-[4-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]methanone
PubChem CID16669444
Molecular FormulaC25H27FN4O2
Molecular Weight434.52 g/mol
Exact Mass434.21
IUPAC Name[1-(2-fluorophenyl)cyclopentyl]-[4-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]methanone
SMILESCc1cc(-c2cncnc2C2CCN(C(=O)C3(c4ccccc4F)CCCC3)CC2)on1
InChIInChI=1S/C25H27FN4O2/c1-17-14-22(32-29-17)19-15-27-16-28-23(19)18-8-12-30(13-9-18)24(31)25(10-4-5-11-25)20-6-2-3-7-21(20)26/h2-3,6-7,14-16,18H,4-5,8-13H2,1H3
InChIKeyOPQVBSMOECDGKH-UHFFFAOYSA-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-(2-fluorophenyl)cyclopentyl]-[4-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]methanone?
The IUPAC name of [1-(2-fluorophenyl)cyclopentyl]-[4-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]methanone (CID 16669444) is [1-(2-fluorophenyl)cyclopentyl]-[4-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]methanone.
What is the SMILES notation for [1-(2-fluorophenyl)cyclopentyl]-[4-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]methanone?
The canonical SMILES for [1-(2-fluorophenyl)cyclopentyl]-[4-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]methanone is Cc1cc(-c2cncnc2C2CCN(C(=O)C3(c4ccccc4F)CCCC3)CC2)on1.
What is the InChIKey of [1-(2-fluorophenyl)cyclopentyl]-[4-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]methanone?
The InChIKey is OPQVBSMOECDGKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN4O2/c1-17-14-22(32-29-17)19-15-27-16-28-23(19)18-8-12-30(13-9-18)24(31)25(10-4-5-11-25)20-6-2-3-7-21(20)26/h2-3,6-7,14-16,18H,4-5,8-13H2,1H3.
What are the key properties of [1-(2-fluorophenyl)cyclopentyl]-[4-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]methanone?
[1-(2-fluorophenyl)cyclopentyl]-[4-[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-(2-fluorophenyl)cyclopentyl]-[4-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 16669444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).