2-(4-fluorophenyl)-4-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-1,3-oxazole

C18H18FN5O — CID 51076393

IUPAC2-(4-fluorophenyl)-4-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-1,3-oxazole
SMILESFc1ccc(-c2nc(CN3CCN(c4cnccn4)CC3)co2)cc1
InChIInChI=1S/C18H18FN5O/c19-15-3-1-14(2-4-15)18-22-16(13-25-18)12-23-7-9-24(10-8-23)17-11-20-5-6-21-17/h1-6,11,13H,7-10,12H2
InChIKeyXUSKXPBNGBTXJO-UHFFFAOYSA-N
MW339.37 g/mol
LogP2.59
Rot. Bonds4

About 2-(4-fluorophenyl)-4-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-1,3-oxazole

2-(4-fluorophenyl)-4-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-1,3-oxazole (PubChem CID 51076393) has the molecular formula C18H18FN5O and a molecular weight of 339.37 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-4-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-1,3-oxazole.

Molecular Properties

Compound Name2-(4-fluorophenyl)-4-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-1,3-oxazole
PubChem CID51076393
Molecular FormulaC18H18FN5O
Molecular Weight339.37 g/mol
Exact Mass339.15
IUPAC Name2-(4-fluorophenyl)-4-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-1,3-oxazole
SMILESFc1ccc(-c2nc(CN3CCN(c4cnccn4)CC3)co2)cc1
InChIInChI=1S/C18H18FN5O/c19-15-3-1-14(2-4-15)18-22-16(13-25-18)12-23-7-9-24(10-8-23)17-11-20-5-6-21-17/h1-6,11,13H,7-10,12H2
InChIKeyXUSKXPBNGBTXJO-UHFFFAOYSA-N
XLogP2.59
TPSA58.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[[5-(4-fluorophenyl)tetrazol-2-yl]methyl]piperazin-1-yl]pyrazine
CID 17491060
N-butan-2-yl-2-[4-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]piperazin-1-yl]acetamide
CID 86923626
2-(4-ethoxyphenyl)-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-oxazole
CID 56675706
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
4-[(4,7-dimethyl-1,4,7-triazonan-1-yl)methyl]-2-(4-ethoxyphenyl)-1,3-oxazole
CID 136564269
3-methyl-5-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
CID 18168055
4-methyl-1-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidin-4-ol
CID 80703344
5-phenyl-2-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-1,3-oxazole
CID 18167942
1-[4-[4-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]piperazin-1-yl]phenyl]ethanone
CID 34181776
N,N,4-trimethyl-6-[4-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]pyrimidin-2-amine
CID 166136017

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-4-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-1,3-oxazole?
The IUPAC name of 2-(4-fluorophenyl)-4-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-1,3-oxazole (CID 51076393) is 2-(4-fluorophenyl)-4-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-1,3-oxazole.
What is the SMILES notation for 2-(4-fluorophenyl)-4-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-1,3-oxazole?
The canonical SMILES for 2-(4-fluorophenyl)-4-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-1,3-oxazole is Fc1ccc(-c2nc(CN3CCN(c4cnccn4)CC3)co2)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-4-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-1,3-oxazole?
The InChIKey is XUSKXPBNGBTXJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN5O/c19-15-3-1-14(2-4-15)18-22-16(13-25-18)12-23-7-9-24(10-8-23)17-11-20-5-6-21-17/h1-6,11,13H,7-10,12H2.
What are the key properties of 2-(4-fluorophenyl)-4-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-1,3-oxazole?
2-(4-fluorophenyl)-4-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-1,3-oxazole has a molecular weight of 339.37 g/mol, XLogP of 2.59, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-4-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-1,3-oxazole is sourced from PubChem (CID 51076393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).