(2,4-difluorophenyl)-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]methanone

C18H18F2N2O3 — CID 2741451

IUPAC(2,4-difluorophenyl)-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]methanone
SMILESCc1noc(C)c1C(=O)N1CCC(C(=O)c2ccc(F)cc2F)CC1
InChIInChI=1S/C18H18F2N2O3/c1-10-16(11(2)25-21-10)18(24)22-7-5-12(6-8-22)17(23)14-4-3-13(19)9-15(14)20/h3-4,9,12H,5-8H2,1-2H3
InChIKeyHWTHBLJLRSLFQW-UHFFFAOYSA-N
MW348.35 g/mol
LogP3.30
Rot. Bonds3

About (2,4-difluorophenyl)-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]methanone

(2,4-difluorophenyl)-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]methanone (PubChem CID 2741451) has the molecular formula C18H18F2N2O3 and a molecular weight of 348.35 g/mol. Its IUPAC name is (2,4-difluorophenyl)-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]methanone.

Molecular Properties

Compound Name(2,4-difluorophenyl)-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]methanone
PubChem CID2741451
Molecular FormulaC18H18F2N2O3
Molecular Weight348.35 g/mol
Exact Mass348.13
IUPAC Name(2,4-difluorophenyl)-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]methanone
SMILESCc1noc(C)c1C(=O)N1CCC(C(=O)c2ccc(F)cc2F)CC1
InChIInChI=1S/C18H18F2N2O3/c1-10-16(11(2)25-21-10)18(24)22-7-5-12(6-8-22)17(23)14-4-3-13(19)9-15(14)20/h3-4,9,12H,5-8H2,1-2H3
InChIKeyHWTHBLJLRSLFQW-UHFFFAOYSA-N
XLogP3.30
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.35
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2,4-difluorophenyl)-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]methanone?
The IUPAC name of (2,4-difluorophenyl)-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]methanone (CID 2741451) is (2,4-difluorophenyl)-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]methanone.
What is the SMILES notation for (2,4-difluorophenyl)-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]methanone?
The canonical SMILES for (2,4-difluorophenyl)-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]methanone is Cc1noc(C)c1C(=O)N1CCC(C(=O)c2ccc(F)cc2F)CC1.
What is the InChIKey of (2,4-difluorophenyl)-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]methanone?
The InChIKey is HWTHBLJLRSLFQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N2O3/c1-10-16(11(2)25-21-10)18(24)22-7-5-12(6-8-22)17(23)14-4-3-13(19)9-15(14)20/h3-4,9,12H,5-8H2,1-2H3.
What are the key properties of (2,4-difluorophenyl)-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]methanone?
(2,4-difluorophenyl)-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]methanone has a molecular weight of 348.35 g/mol, XLogP of 3.30, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-difluorophenyl)-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]methanone is sourced from PubChem (CID 2741451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).