3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-1-(3-methylpiperidin-1-yl)propan-1-one

C18H20F2N2O2 — CID 18135834

IUPAC3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-1-(3-methylpiperidin-1-yl)propan-1-one
SMILESCC1CCCN(C(=O)CCc2ncc(-c3ccc(F)cc3F)o2)C1
InChIInChI=1S/C18H20F2N2O2/c1-12-3-2-8-22(11-12)18(23)7-6-17-21-10-16(24-17)14-5-4-13(19)9-15(14)20/h4-5,9-10,12H,2-3,6-8,11H2,1H3
InChIKeyATAHAWPITCSNRO-UHFFFAOYSA-N
MW334.37 g/mol
LogP3.81
Rot. Bonds4

About 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-1-(3-methylpiperidin-1-yl)propan-1-one

3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-1-(3-methylpiperidin-1-yl)propan-1-one (PubChem CID 18135834) has the molecular formula C18H20F2N2O2 and a molecular weight of 334.37 g/mol. Its IUPAC name is 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-1-(3-methylpiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-1-(3-methylpiperidin-1-yl)propan-1-one
PubChem CID18135834
Molecular FormulaC18H20F2N2O2
Molecular Weight334.37 g/mol
Exact Mass334.15
IUPAC Name3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-1-(3-methylpiperidin-1-yl)propan-1-one
SMILESCC1CCCN(C(=O)CCc2ncc(-c3ccc(F)cc3F)o2)C1
InChIInChI=1S/C18H20F2N2O2/c1-12-3-2-8-22(11-12)18(23)7-6-17-21-10-16(24-17)14-5-4-13(19)9-15(14)20/h4-5,9-10,12H,2-3,6-8,11H2,1H3
InChIKeyATAHAWPITCSNRO-UHFFFAOYSA-N
XLogP3.81
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-1-(3-methylpiperidin-1-yl)propan-1-one?
The IUPAC name of 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-1-(3-methylpiperidin-1-yl)propan-1-one (CID 18135834) is 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-1-(3-methylpiperidin-1-yl)propan-1-one.
What is the SMILES notation for 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-1-(3-methylpiperidin-1-yl)propan-1-one?
The canonical SMILES for 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-1-(3-methylpiperidin-1-yl)propan-1-one is CC1CCCN(C(=O)CCc2ncc(-c3ccc(F)cc3F)o2)C1.
What is the InChIKey of 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-1-(3-methylpiperidin-1-yl)propan-1-one?
The InChIKey is ATAHAWPITCSNRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N2O2/c1-12-3-2-8-22(11-12)18(23)7-6-17-21-10-16(24-17)14-5-4-13(19)9-15(14)20/h4-5,9-10,12H,2-3,6-8,11H2,1H3.
What are the key properties of 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-1-(3-methylpiperidin-1-yl)propan-1-one?
3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-1-(3-methylpiperidin-1-yl)propan-1-one has a molecular weight of 334.37 g/mol, XLogP of 3.81, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-1-(3-methylpiperidin-1-yl)propan-1-one is sourced from PubChem (CID 18135834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).