5-[4-fluoro-2-(1-methylpiperidin-4-yl)phenyl]-3H-1,3-oxazol-2-one

C15H17FN2O2 — CID 162653976

IUPAC5-[4-fluoro-2-(1-methylpiperidin-4-yl)phenyl]-3H-1,3-oxazol-2-one
SMILESCN1CCC(c2cc(F)ccc2-c2c[nH]c(=O)o2)CC1
InChIInChI=1S/C15H17FN2O2/c1-18-6-4-10(5-7-18)13-8-11(16)2-3-12(13)14-9-17-15(19)20-14/h2-3,8-10H,4-7H2,1H3,(H,17,19)
InChIKeyHGMAZSWOVBZMBT-UHFFFAOYSA-N
MW276.31 g/mol
LogP2.58
Rot. Bonds2

About 5-[4-fluoro-2-(1-methylpiperidin-4-yl)phenyl]-3H-1,3-oxazol-2-one

5-[4-fluoro-2-(1-methylpiperidin-4-yl)phenyl]-3H-1,3-oxazol-2-one (PubChem CID 162653976) has the molecular formula C15H17FN2O2 and a molecular weight of 276.31 g/mol. Its IUPAC name is 5-[4-fluoro-2-(1-methylpiperidin-4-yl)phenyl]-3H-1,3-oxazol-2-one.

Molecular Properties

Compound Name5-[4-fluoro-2-(1-methylpiperidin-4-yl)phenyl]-3H-1,3-oxazol-2-one
PubChem CID162653976
Molecular FormulaC15H17FN2O2
Molecular Weight276.31 g/mol
Exact Mass276.13
IUPAC Name5-[4-fluoro-2-(1-methylpiperidin-4-yl)phenyl]-3H-1,3-oxazol-2-one
SMILESCN1CCC(c2cc(F)ccc2-c2c[nH]c(=O)o2)CC1
InChIInChI=1S/C15H17FN2O2/c1-18-6-4-10(5-7-18)13-8-11(16)2-3-12(13)14-9-17-15(19)20-14/h2-3,8-10H,4-7H2,1H3,(H,17,19)
InChIKeyHGMAZSWOVBZMBT-UHFFFAOYSA-N
XLogP2.58
TPSA49.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[4-fluoro-2-(1-methylpiperidin-4-yl)phenyl]-3H-1,3-oxazol-2-one?
The IUPAC name of 5-[4-fluoro-2-(1-methylpiperidin-4-yl)phenyl]-3H-1,3-oxazol-2-one (CID 162653976) is 5-[4-fluoro-2-(1-methylpiperidin-4-yl)phenyl]-3H-1,3-oxazol-2-one.
What is the SMILES notation for 5-[4-fluoro-2-(1-methylpiperidin-4-yl)phenyl]-3H-1,3-oxazol-2-one?
The canonical SMILES for 5-[4-fluoro-2-(1-methylpiperidin-4-yl)phenyl]-3H-1,3-oxazol-2-one is CN1CCC(c2cc(F)ccc2-c2c[nH]c(=O)o2)CC1.
What is the InChIKey of 5-[4-fluoro-2-(1-methylpiperidin-4-yl)phenyl]-3H-1,3-oxazol-2-one?
The InChIKey is HGMAZSWOVBZMBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O2/c1-18-6-4-10(5-7-18)13-8-11(16)2-3-12(13)14-9-17-15(19)20-14/h2-3,8-10H,4-7H2,1H3,(H,17,19).
What are the key properties of 5-[4-fluoro-2-(1-methylpiperidin-4-yl)phenyl]-3H-1,3-oxazol-2-one?
5-[4-fluoro-2-(1-methylpiperidin-4-yl)phenyl]-3H-1,3-oxazol-2-one has a molecular weight of 276.31 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-fluoro-2-(1-methylpiperidin-4-yl)phenyl]-3H-1,3-oxazol-2-one is sourced from PubChem (CID 162653976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).