1-[[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl-methylamino]hex-5-en-2-ol

C17H23FN2O2 — CID 24714718

IUPAC1-[[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl-methylamino]hex-5-en-2-ol
SMILESC=CCCC(O)CN(C)CC1CC(c2ccc(F)cc2)=NO1
InChIInChI=1S/C17H23FN2O2/c1-3-4-5-15(21)11-20(2)12-16-10-17(19-22-16)13-6-8-14(18)9-7-13/h3,6-9,15-16,21H,1,4-5,10-12H2,2H3
InChIKeyVEBZTSKIDRBACK-UHFFFAOYSA-N
MW306.38 g/mol
LogP2.58
Rot. Bonds8

About 1-[[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl-methylamino]hex-5-en-2-ol

1-[[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl-methylamino]hex-5-en-2-ol (PubChem CID 24714718) has the molecular formula C17H23FN2O2 and a molecular weight of 306.38 g/mol. Its IUPAC name is 1-[[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl-methylamino]hex-5-en-2-ol.

Molecular Properties

Compound Name1-[[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl-methylamino]hex-5-en-2-ol
PubChem CID24714718
Molecular FormulaC17H23FN2O2
Molecular Weight306.38 g/mol
Exact Mass306.17
IUPAC Name1-[[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl-methylamino]hex-5-en-2-ol
SMILESC=CCCC(O)CN(C)CC1CC(c2ccc(F)cc2)=NO1
InChIInChI=1S/C17H23FN2O2/c1-3-4-5-15(21)11-20(2)12-16-10-17(19-22-16)13-6-8-14(18)9-7-13/h3,6-9,15-16,21H,1,4-5,10-12H2,2H3
InChIKeyVEBZTSKIDRBACK-UHFFFAOYSA-N
XLogP2.58
TPSA45.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.38
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl-methylamino]hex-5-en-2-ol?
The IUPAC name of 1-[[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl-methylamino]hex-5-en-2-ol (CID 24714718) is 1-[[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl-methylamino]hex-5-en-2-ol.
What is the SMILES notation for 1-[[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl-methylamino]hex-5-en-2-ol?
The canonical SMILES for 1-[[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl-methylamino]hex-5-en-2-ol is C=CCCC(O)CN(C)CC1CC(c2ccc(F)cc2)=NO1.
What is the InChIKey of 1-[[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl-methylamino]hex-5-en-2-ol?
The InChIKey is VEBZTSKIDRBACK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O2/c1-3-4-5-15(21)11-20(2)12-16-10-17(19-22-16)13-6-8-14(18)9-7-13/h3,6-9,15-16,21H,1,4-5,10-12H2,2H3.
What are the key properties of 1-[[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl-methylamino]hex-5-en-2-ol?
1-[[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl-methylamino]hex-5-en-2-ol has a molecular weight of 306.38 g/mol, XLogP of 2.58, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl-methylamino]hex-5-en-2-ol is sourced from PubChem (CID 24714718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).