2-[[3-(fluoromethyl)piperazin-1-yl]methyl]-5-(2-methylphenyl)-1,3-oxazole

C16H20FN3O — CID 167865720

IUPAC2-[[3-(fluoromethyl)piperazin-1-yl]methyl]-5-(2-methylphenyl)-1,3-oxazole
SMILESCc1ccccc1-c1cnc(CN2CCNC(CF)C2)o1
InChIInChI=1S/C16H20FN3O/c1-12-4-2-3-5-14(12)15-9-19-16(21-15)11-20-7-6-18-13(8-17)10-20/h2-5,9,13,18H,6-8,10-11H2,1H3
InChIKeyAQKSXHSNCWYESJ-UHFFFAOYSA-N
MW289.35 g/mol
LogP2.39
Rot. Bonds4

About 2-[[3-(fluoromethyl)piperazin-1-yl]methyl]-5-(2-methylphenyl)-1,3-oxazole

2-[[3-(fluoromethyl)piperazin-1-yl]methyl]-5-(2-methylphenyl)-1,3-oxazole (PubChem CID 167865720) has the molecular formula C16H20FN3O and a molecular weight of 289.35 g/mol. Its IUPAC name is 2-[[3-(fluoromethyl)piperazin-1-yl]methyl]-5-(2-methylphenyl)-1,3-oxazole.

Molecular Properties

Compound Name2-[[3-(fluoromethyl)piperazin-1-yl]methyl]-5-(2-methylphenyl)-1,3-oxazole
PubChem CID167865720
Molecular FormulaC16H20FN3O
Molecular Weight289.35 g/mol
Exact Mass289.16
IUPAC Name2-[[3-(fluoromethyl)piperazin-1-yl]methyl]-5-(2-methylphenyl)-1,3-oxazole
SMILESCc1ccccc1-c1cnc(CN2CCNC(CF)C2)o1
InChIInChI=1S/C16H20FN3O/c1-12-4-2-3-5-14(12)15-9-19-16(21-15)11-20-7-6-18-13(8-17)10-20/h2-5,9,13,18H,6-8,10-11H2,1H3
InChIKeyAQKSXHSNCWYESJ-UHFFFAOYSA-N
XLogP2.39
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,8-diazabicyclo[3.2.1]octan-8-ylmethyl)-5-(2-methylphenyl)-1,3-oxazole
CID 167776096
2-[[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-5-(2-methylphenyl)-1,3-oxazole
CID 154745361
2-(azetidin-3-ylmethyl)-5-(2-methylphenyl)-1,3-oxazole
CID 115036776
1-[[5-(2-fluorophenyl)-1,3-oxazol-2-yl]methyl]-N-methylpiperidin-3-amine
CID 119920467
(3S)-1-[[5-(2-bromophenyl)-1,3-oxazol-2-yl]methyl]pyrrolidin-3-ol
CID 111462016
2-[(3-tert-butylpiperazin-1-yl)methyl]-5-ethyl-1,3-oxazole
CID 106376633
2-[(3-cyclopropylpiperazin-1-yl)methyl]-5-methyl-1,3-oxazole
CID 106376781
3-benzyl-1-[(2-methylphenyl)methyl]piperazine
CID 64834107
(6R)-4-[[5-(2-fluorophenyl)-1,3-oxazol-2-yl]methyl]-6-(methoxymethyl)-2,2-dimethylmorpholine
CID 129483204
1-[[5-(2-bromophenyl)-1,3-oxazol-2-yl]methyl]piperidine-4-carboxylic acid
CID 119907746
N-[[5-(2-methylphenyl)-1,3-oxazol-2-yl]methyl]propan-1-amine
CID 65184233
3-ethyl-1-[(5-methylfuran-2-yl)methyl]piperazine
CID 64952375

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(fluoromethyl)piperazin-1-yl]methyl]-5-(2-methylphenyl)-1,3-oxazole?
The IUPAC name of 2-[[3-(fluoromethyl)piperazin-1-yl]methyl]-5-(2-methylphenyl)-1,3-oxazole (CID 167865720) is 2-[[3-(fluoromethyl)piperazin-1-yl]methyl]-5-(2-methylphenyl)-1,3-oxazole.
What is the SMILES notation for 2-[[3-(fluoromethyl)piperazin-1-yl]methyl]-5-(2-methylphenyl)-1,3-oxazole?
The canonical SMILES for 2-[[3-(fluoromethyl)piperazin-1-yl]methyl]-5-(2-methylphenyl)-1,3-oxazole is Cc1ccccc1-c1cnc(CN2CCNC(CF)C2)o1.
What is the InChIKey of 2-[[3-(fluoromethyl)piperazin-1-yl]methyl]-5-(2-methylphenyl)-1,3-oxazole?
The InChIKey is AQKSXHSNCWYESJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O/c1-12-4-2-3-5-14(12)15-9-19-16(21-15)11-20-7-6-18-13(8-17)10-20/h2-5,9,13,18H,6-8,10-11H2,1H3.
What are the key properties of 2-[[3-(fluoromethyl)piperazin-1-yl]methyl]-5-(2-methylphenyl)-1,3-oxazole?
2-[[3-(fluoromethyl)piperazin-1-yl]methyl]-5-(2-methylphenyl)-1,3-oxazole has a molecular weight of 289.35 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(fluoromethyl)piperazin-1-yl]methyl]-5-(2-methylphenyl)-1,3-oxazole is sourced from PubChem (CID 167865720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).