ethane;1-[4-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]piperazin-1-yl]-2-methylpropan-1-one

C19H26FN3O2 — CID 145287058

IUPACethane;1-[4-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]piperazin-1-yl]-2-methylpropan-1-one
SMILESCC.CC(C)C(=O)N1CCN(c2ncc(-c3ccccc3F)o2)CC1
InChIInChI=1S/C17H20FN3O2.C2H6/c1-12(2)16(22)20-7-9-21(10-8-20)17-19-11-15(23-17)13-5-3-4-6-14(13)18;1-2/h3-6,11-12H,7-10H2,1-2H3;1-2H3
InChIKeyDLYRYYULFZKNCZ-UHFFFAOYSA-N
MW347.43 g/mol
LogP3.81
Rot. Bonds3

About ethane;1-[4-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]piperazin-1-yl]-2-methylpropan-1-one

ethane;1-[4-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]piperazin-1-yl]-2-methylpropan-1-one (PubChem CID 145287058) has the molecular formula C19H26FN3O2 and a molecular weight of 347.43 g/mol. Its IUPAC name is ethane;1-[4-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]piperazin-1-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Nameethane;1-[4-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]piperazin-1-yl]-2-methylpropan-1-one
PubChem CID145287058
Molecular FormulaC19H26FN3O2
Molecular Weight347.43 g/mol
Exact Mass347.20
IUPAC Nameethane;1-[4-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]piperazin-1-yl]-2-methylpropan-1-one
SMILESCC.CC(C)C(=O)N1CCN(c2ncc(-c3ccccc3F)o2)CC1
InChIInChI=1S/C17H20FN3O2.C2H6/c1-12(2)16(22)20-7-9-21(10-8-20)17-19-11-15(23-17)13-5-3-4-6-14(13)18;1-2/h3-6,11-12H,7-10H2,1-2H3;1-2H3
InChIKeyDLYRYYULFZKNCZ-UHFFFAOYSA-N
XLogP3.81
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.43
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 134021740
1-[4-[2-(2-fluorophenyl)ethyl]piperazin-1-yl]-2-methylpropan-1-one
CID 110412011
1-chloroethyl 4-[5-(2-fluorophenyl)-2-pyridinyl]piperazine-1-carboxylate
CID 141044300
ethyl 4-[2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]benzoyl]piperazine-1-carboxylate
CID 36759625
1-[(3S)-3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-2-methylpropan-1-one
CID 99964051
2-methyl-1-[4-(2-morpholin-4-ylphenyl)piperazin-1-yl]propan-1-one
CID 113079086
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-sulfanylpropan-1-one
CID 107023626
2-[[5-(2-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-piperidin-1-ylpropan-1-one
CID 78669940
1-[4-(5-fluoro-2-pyridinyl)-1,4-diazepan-1-yl]-2-methylpropan-1-one
CID 176935100
N-butan-2-yl-2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]benzamide
CID 42945534
2-[4-[3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoyl]piperazin-1-yl]-N-methylacetamide
CID 134011866
1-[4-[6-(2-fluorophenyl)pyrimidin-4-yl]piperazin-1-yl]-2-hydroxy-4-methylpentan-1-one
CID 68680225

Frequently Asked Questions

What is the IUPAC name of ethane;1-[4-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]piperazin-1-yl]-2-methylpropan-1-one?
The IUPAC name of ethane;1-[4-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]piperazin-1-yl]-2-methylpropan-1-one (CID 145287058) is ethane;1-[4-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]piperazin-1-yl]-2-methylpropan-1-one.
What is the SMILES notation for ethane;1-[4-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]piperazin-1-yl]-2-methylpropan-1-one?
The canonical SMILES for ethane;1-[4-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]piperazin-1-yl]-2-methylpropan-1-one is CC.CC(C)C(=O)N1CCN(c2ncc(-c3ccccc3F)o2)CC1.
What is the InChIKey of ethane;1-[4-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]piperazin-1-yl]-2-methylpropan-1-one?
The InChIKey is DLYRYYULFZKNCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O2.C2H6/c1-12(2)16(22)20-7-9-21(10-8-20)17-19-11-15(23-17)13-5-3-4-6-14(13)18;1-2/h3-6,11-12H,7-10H2,1-2H3;1-2H3.
What are the key properties of ethane;1-[4-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]piperazin-1-yl]-2-methylpropan-1-one?
ethane;1-[4-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]piperazin-1-yl]-2-methylpropan-1-one has a molecular weight of 347.43 g/mol, XLogP of 3.81, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[4-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]piperazin-1-yl]-2-methylpropan-1-one is sourced from PubChem (CID 145287058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).