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

C16H19FN2O2 — CID 114681165

IUPAC1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-3-methylpiperidin-4-ol
SMILESCC1CN(Cc2coc(-c3ccc(F)cc3)n2)CCC1O
InChIInChI=1S/C16H19FN2O2/c1-11-8-19(7-6-15(11)20)9-14-10-21-16(18-14)12-2-4-13(17)5-3-12/h2-5,10-11,15,20H,6-9H2,1H3
InChIKeyCEZUCKFDRFLDSS-UHFFFAOYSA-N
MW290.34 g/mol
LogP2.68
Rot. Bonds3

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

1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-3-methylpiperidin-4-ol (PubChem CID 114681165) 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-4-ol.

Molecular Properties

Compound Name1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-3-methylpiperidin-4-ol
PubChem CID114681165
Molecular FormulaC16H19FN2O2
Molecular Weight290.34 g/mol
Exact Mass290.14
IUPAC Name1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-3-methylpiperidin-4-ol
SMILESCC1CN(Cc2coc(-c3ccc(F)cc3)n2)CCC1O
InChIInChI=1S/C16H19FN2O2/c1-11-8-19(7-6-15(11)20)9-14-10-21-16(18-14)12-2-4-13(17)5-3-12/h2-5,10-11,15,20H,6-9H2,1H3
InChIKeyCEZUCKFDRFLDSS-UHFFFAOYSA-N
XLogP2.68
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 ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-N-methylpiperidin-3-amine
CID 62547236
N-[[1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]piperidin-4-yl]methyl]ethanamine;hydrochloride
CID 119928002
2-[1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]azetidin-3-yl]acetic acid
CID 64618913
1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-3-methylpiperidin-3-ol
CID 115873830
1-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]azetidin-3-ol
CID 55169599
tert-butyl N-[[1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]piperidin-3-yl]methyl]-N-propan-2-ylcarbamate
CID 55826643
4-[[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]methyl]-2-(4-methylphenyl)-1,3-oxazole
CID 56662511
4-methyl-1-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrrolidine-3-carboxylic acid
CID 63720352
1-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methyl]pyrrolidine-3,4-diol
CID 106672993
[1-[[2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]pyrrolidin-3-yl]methanol
CID 109499658
1-[1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]pyrrolidin-2-yl]-N-methylmethanamine
CID 81496163
(3S,4R)-1-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrrolidine-3,4-diol
CID 79411338

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-3-methylpiperidin-4-ol?
The IUPAC name of 1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-3-methylpiperidin-4-ol (CID 114681165) is 1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-3-methylpiperidin-4-ol.
What is the SMILES notation for 1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-3-methylpiperidin-4-ol?
The canonical SMILES for 1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-3-methylpiperidin-4-ol is CC1CN(Cc2coc(-c3ccc(F)cc3)n2)CCC1O.
What is the InChIKey of 1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-3-methylpiperidin-4-ol?
The InChIKey is CEZUCKFDRFLDSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O2/c1-11-8-19(7-6-15(11)20)9-14-10-21-16(18-14)12-2-4-13(17)5-3-12/h2-5,10-11,15,20H,6-9H2,1H3.
What are the key properties of 1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-3-methylpiperidin-4-ol?
1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-3-methylpiperidin-4-ol has a molecular weight of 290.34 g/mol, XLogP of 2.68, 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-4-ol is sourced from PubChem (CID 114681165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).