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

C16H16F2N2O2 — CID 110647511

IUPAC[5-(3,4-difluorophenyl)-1,2-oxazol-4-yl]-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2cnoc2-c2ccc(F)c(F)c2)CC1
InChIInChI=1S/C16H16F2N2O2/c1-10-4-6-20(7-5-10)16(21)12-9-19-22-15(12)11-2-3-13(17)14(18)8-11/h2-3,8-10H,4-7H2,1H3
InChIKeyHQZXNGBVGKXWDC-UHFFFAOYSA-N
MW306.31 g/mol
LogP3.49
Rot. Bonds2

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

[5-(3,4-difluorophenyl)-1,2-oxazol-4-yl]-(4-methylpiperidin-1-yl)methanone (PubChem CID 110647511) has the molecular formula C16H16F2N2O2 and a molecular weight of 306.31 g/mol. Its IUPAC name is [5-(3,4-difluorophenyl)-1,2-oxazol-4-yl]-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[5-(3,4-difluorophenyl)-1,2-oxazol-4-yl]-(4-methylpiperidin-1-yl)methanone
PubChem CID110647511
Molecular FormulaC16H16F2N2O2
Molecular Weight306.31 g/mol
Exact Mass306.12
IUPAC Name[5-(3,4-difluorophenyl)-1,2-oxazol-4-yl]-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2cnoc2-c2ccc(F)c(F)c2)CC1
InChIInChI=1S/C16H16F2N2O2/c1-10-4-6-20(7-5-10)16(21)12-9-19-22-15(12)11-2-3-13(17)14(18)8-11/h2-3,8-10H,4-7H2,1H3
InChIKeyHQZXNGBVGKXWDC-UHFFFAOYSA-N
XLogP3.49
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.31
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-(3,4-difluorophenyl)-1,2-oxazol-4-yl]-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of [5-(3,4-difluorophenyl)-1,2-oxazol-4-yl]-(4-methylpiperidin-1-yl)methanone (CID 110647511) is [5-(3,4-difluorophenyl)-1,2-oxazol-4-yl]-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [5-(3,4-difluorophenyl)-1,2-oxazol-4-yl]-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for [5-(3,4-difluorophenyl)-1,2-oxazol-4-yl]-(4-methylpiperidin-1-yl)methanone is CC1CCN(C(=O)c2cnoc2-c2ccc(F)c(F)c2)CC1.
What is the InChIKey of [5-(3,4-difluorophenyl)-1,2-oxazol-4-yl]-(4-methylpiperidin-1-yl)methanone?
The InChIKey is HQZXNGBVGKXWDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N2O2/c1-10-4-6-20(7-5-10)16(21)12-9-19-22-15(12)11-2-3-13(17)14(18)8-11/h2-3,8-10H,4-7H2,1H3.
What are the key properties of [5-(3,4-difluorophenyl)-1,2-oxazol-4-yl]-(4-methylpiperidin-1-yl)methanone?
[5-(3,4-difluorophenyl)-1,2-oxazol-4-yl]-(4-methylpiperidin-1-yl)methanone has a molecular weight of 306.31 g/mol, XLogP of 3.49, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3,4-difluorophenyl)-1,2-oxazol-4-yl]-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 110647511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).