(2,5-dimethyl-1,3-oxazol-4-yl)-(4-fluoro-4-pyridin-2-ylpiperidin-1-yl)methanone

C16H18FN3O2 — CID 122153399

IUPAC(2,5-dimethyl-1,3-oxazol-4-yl)-(4-fluoro-4-pyridin-2-ylpiperidin-1-yl)methanone
SMILESCc1nc(C(=O)N2CCC(F)(c3ccccn3)CC2)c(C)o1
InChIInChI=1S/C16H18FN3O2/c1-11-14(19-12(2)22-11)15(21)20-9-6-16(17,7-10-20)13-5-3-4-8-18-13/h3-5,8H,6-7,9-10H2,1-2H3
InChIKeySOELSKAIYZLEOJ-UHFFFAOYSA-N
MW303.34 g/mol
LogP2.79
Rot. Bonds2

About (2,5-dimethyl-1,3-oxazol-4-yl)-(4-fluoro-4-pyridin-2-ylpiperidin-1-yl)methanone

(2,5-dimethyl-1,3-oxazol-4-yl)-(4-fluoro-4-pyridin-2-ylpiperidin-1-yl)methanone (PubChem CID 122153399) has the molecular formula C16H18FN3O2 and a molecular weight of 303.34 g/mol. Its IUPAC name is (2,5-dimethyl-1,3-oxazol-4-yl)-(4-fluoro-4-pyridin-2-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2,5-dimethyl-1,3-oxazol-4-yl)-(4-fluoro-4-pyridin-2-ylpiperidin-1-yl)methanone
PubChem CID122153399
Molecular FormulaC16H18FN3O2
Molecular Weight303.34 g/mol
Exact Mass303.14
IUPAC Name(2,5-dimethyl-1,3-oxazol-4-yl)-(4-fluoro-4-pyridin-2-ylpiperidin-1-yl)methanone
SMILESCc1nc(C(=O)N2CCC(F)(c3ccccn3)CC2)c(C)o1
InChIInChI=1S/C16H18FN3O2/c1-11-14(19-12(2)22-11)15(21)20-9-6-16(17,7-10-20)13-5-3-4-8-18-13/h3-5,8H,6-7,9-10H2,1-2H3
InChIKeySOELSKAIYZLEOJ-UHFFFAOYSA-N
XLogP2.79
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2,5-dimethyl-1,3-oxazol-4-yl)-(4-fluoro-4-pyridin-2-ylpiperidin-1-yl)methanone?
The IUPAC name of (2,5-dimethyl-1,3-oxazol-4-yl)-(4-fluoro-4-pyridin-2-ylpiperidin-1-yl)methanone (CID 122153399) is (2,5-dimethyl-1,3-oxazol-4-yl)-(4-fluoro-4-pyridin-2-ylpiperidin-1-yl)methanone.
What is the SMILES notation for (2,5-dimethyl-1,3-oxazol-4-yl)-(4-fluoro-4-pyridin-2-ylpiperidin-1-yl)methanone?
The canonical SMILES for (2,5-dimethyl-1,3-oxazol-4-yl)-(4-fluoro-4-pyridin-2-ylpiperidin-1-yl)methanone is Cc1nc(C(=O)N2CCC(F)(c3ccccn3)CC2)c(C)o1.
What is the InChIKey of (2,5-dimethyl-1,3-oxazol-4-yl)-(4-fluoro-4-pyridin-2-ylpiperidin-1-yl)methanone?
The InChIKey is SOELSKAIYZLEOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O2/c1-11-14(19-12(2)22-11)15(21)20-9-6-16(17,7-10-20)13-5-3-4-8-18-13/h3-5,8H,6-7,9-10H2,1-2H3.
What are the key properties of (2,5-dimethyl-1,3-oxazol-4-yl)-(4-fluoro-4-pyridin-2-ylpiperidin-1-yl)methanone?
(2,5-dimethyl-1,3-oxazol-4-yl)-(4-fluoro-4-pyridin-2-ylpiperidin-1-yl)methanone has a molecular weight of 303.34 g/mol, XLogP of 2.79, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethyl-1,3-oxazol-4-yl)-(4-fluoro-4-pyridin-2-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 122153399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).