1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-3-methylpiperidin-3-ol

C16H19FN2O2 — CID 115873830

IUPAC1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-3-methylpiperidin-3-ol
SMILESCC1(O)CCCN(Cc2coc(-c3ccc(F)cc3)n2)C1
InChIInChI=1S/C16H19FN2O2/c1-16(20)7-2-8-19(11-16)9-14-10-21-15(18-14)12-3-5-13(17)6-4-12/h3-6,10,20H,2,7-9,11H2,1H3
InChIKeyUPFZHTKHIHBXKC-UHFFFAOYSA-N
MW290.34 g/mol
LogP2.83
Rot. Bonds3

About 1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-3-methylpiperidin-3-ol

1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-3-methylpiperidin-3-ol (PubChem CID 115873830) has the molecular formula C16H19FN2O2 and a molecular weight of 290.34 g/mol. Its IUPAC name is 1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-3-methylpiperidin-3-ol.

Molecular Properties

Compound Name1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-3-methylpiperidin-3-ol
PubChem CID115873830
Molecular FormulaC16H19FN2O2
Molecular Weight290.34 g/mol
Exact Mass290.14
IUPAC Name1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-3-methylpiperidin-3-ol
SMILESCC1(O)CCCN(Cc2coc(-c3ccc(F)cc3)n2)C1
InChIInChI=1S/C16H19FN2O2/c1-16(20)7-2-8-19(11-16)9-14-10-21-15(18-14)12-3-5-13(17)6-4-12/h3-6,10,20H,2,7-9,11H2,1H3
InChIKeyUPFZHTKHIHBXKC-UHFFFAOYSA-N
XLogP2.83
TPSA49.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-3-methylpiperidin-3-ol?
The IUPAC name of 1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-3-methylpiperidin-3-ol (CID 115873830) is 1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-3-methylpiperidin-3-ol.
What is the SMILES notation for 1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-3-methylpiperidin-3-ol?
The canonical SMILES for 1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-3-methylpiperidin-3-ol is CC1(O)CCCN(Cc2coc(-c3ccc(F)cc3)n2)C1.
What is the InChIKey of 1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-3-methylpiperidin-3-ol?
The InChIKey is UPFZHTKHIHBXKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O2/c1-16(20)7-2-8-19(11-16)9-14-10-21-15(18-14)12-3-5-13(17)6-4-12/h3-6,10,20H,2,7-9,11H2,1H3.
What are the key properties of 1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-3-methylpiperidin-3-ol?
1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-3-methylpiperidin-3-ol has a molecular weight of 290.34 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-3-methylpiperidin-3-ol is sourced from PubChem (CID 115873830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).