5-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-N,N-dimethyl-4,5-dihydro-1,3-oxazol-2-amine

C16H23FN4O — CID 551124

IUPAC5-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-N,N-dimethyl-4,5-dihydro-1,3-oxazol-2-amine
SMILESCN(C)C1=NCC(CN2CCN(c3ccc(F)cc3)CC2)O1
InChIInChI=1S/C16H23FN4O/c1-19(2)16-18-11-15(22-16)12-20-7-9-21(10-8-20)14-5-3-13(17)4-6-14/h3-6,15H,7-12H2,1-2H3
InChIKeyWPSZDVLMEIVNFU-UHFFFAOYSA-N
MW306.39 g/mol
LogP1.26
Rot. Bonds3

About 5-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-N,N-dimethyl-4,5-dihydro-1,3-oxazol-2-amine

5-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-N,N-dimethyl-4,5-dihydro-1,3-oxazol-2-amine (PubChem CID 551124) has the molecular formula C16H23FN4O and a molecular weight of 306.39 g/mol. Its IUPAC name is 5-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-N,N-dimethyl-4,5-dihydro-1,3-oxazol-2-amine.

Molecular Properties

Compound Name5-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-N,N-dimethyl-4,5-dihydro-1,3-oxazol-2-amine
PubChem CID551124
Molecular FormulaC16H23FN4O
Molecular Weight306.39 g/mol
Exact Mass306.19
IUPAC Name5-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-N,N-dimethyl-4,5-dihydro-1,3-oxazol-2-amine
SMILESCN(C)C1=NCC(CN2CCN(c3ccc(F)cc3)CC2)O1
InChIInChI=1S/C16H23FN4O/c1-19(2)16-18-11-15(22-16)12-20-7-9-21(10-8-20)14-5-3-13(17)4-6-14/h3-6,15H,7-12H2,1-2H3
InChIKeyWPSZDVLMEIVNFU-UHFFFAOYSA-N
XLogP1.26
TPSA31.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-N,N-dimethyl-4,5-dihydro-1,3-oxazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-N,N-dimethyl-4,5-dihydro-1,3-oxazol-2-amine?
The IUPAC name of 5-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-N,N-dimethyl-4,5-dihydro-1,3-oxazol-2-amine (CID 551124) is 5-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-N,N-dimethyl-4,5-dihydro-1,3-oxazol-2-amine.
What is the SMILES notation for 5-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-N,N-dimethyl-4,5-dihydro-1,3-oxazol-2-amine?
The canonical SMILES for 5-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-N,N-dimethyl-4,5-dihydro-1,3-oxazol-2-amine is CN(C)C1=NCC(CN2CCN(c3ccc(F)cc3)CC2)O1.
What is the InChIKey of 5-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-N,N-dimethyl-4,5-dihydro-1,3-oxazol-2-amine?
The InChIKey is WPSZDVLMEIVNFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN4O/c1-19(2)16-18-11-15(22-16)12-20-7-9-21(10-8-20)14-5-3-13(17)4-6-14/h3-6,15H,7-12H2,1-2H3.
What are the key properties of 5-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-N,N-dimethyl-4,5-dihydro-1,3-oxazol-2-amine?
5-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-N,N-dimethyl-4,5-dihydro-1,3-oxazol-2-amine has a molecular weight of 306.39 g/mol, XLogP of 1.26, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-N,N-dimethyl-4,5-dihydro-1,3-oxazol-2-amine is sourced from PubChem (CID 551124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).