5-(4-fluorophenyl)-2-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]-1,3-oxazole

C17H17FN4OS — CID 18136751

IUPAC5-(4-fluorophenyl)-2-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]-1,3-oxazole
SMILESFc1ccc(-c2cnc(CN3CCN(c4nccs4)CC3)o2)cc1
InChIInChI=1S/C17H17FN4OS/c18-14-3-1-13(2-4-14)15-11-20-16(23-15)12-21-6-8-22(9-7-21)17-19-5-10-24-17/h1-5,10-11H,6-9,12H2
InChIKeyJEMJDWDJOWXPCN-UHFFFAOYSA-N
MW344.42 g/mol
LogP3.26
Rot. Bonds4

About 5-(4-fluorophenyl)-2-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]-1,3-oxazole

5-(4-fluorophenyl)-2-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]-1,3-oxazole (PubChem CID 18136751) has the molecular formula C17H17FN4OS and a molecular weight of 344.42 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-2-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]-1,3-oxazole.

Molecular Properties

Compound Name5-(4-fluorophenyl)-2-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]-1,3-oxazole
PubChem CID18136751
Molecular FormulaC17H17FN4OS
Molecular Weight344.42 g/mol
Exact Mass344.11
IUPAC Name5-(4-fluorophenyl)-2-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]-1,3-oxazole
SMILESFc1ccc(-c2cnc(CN3CCN(c4nccs4)CC3)o2)cc1
InChIInChI=1S/C17H17FN4OS/c18-14-3-1-13(2-4-14)15-11-20-16(23-15)12-21-6-8-22(9-7-21)17-19-5-10-24-17/h1-5,10-11H,6-9,12H2
InChIKeyJEMJDWDJOWXPCN-UHFFFAOYSA-N
XLogP3.26
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[4-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]piperazin-1-yl]phenol
CID 9027611
2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-5-(4-methoxyphenyl)-1,3-oxazole
CID 48631704
5-(4-fluorophenyl)-2-[[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methyl]-1,3-oxazole
CID 18151880
2-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-5-(4-fluorophenyl)-1,3-oxazole
CID 9036895
[5-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]furan-2-yl]methanamine
CID 62423654
2-fluoro-3-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]aniline
CID 107347197
(2R)-1-[(2S)-4-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-2-methylpiperazin-1-yl]propan-2-ol
CID 95602167
(2S)-1-[(2S)-4-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-2-methylpiperazin-1-yl]propan-2-ol
CID 98763700
2-[[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methyl]-5-phenyl-1,3-oxazole
CID 47543081
1-[4-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-2-methylpiperazin-1-yl]propan-2-ol
CID 56778692
(3R)-1-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]piperidine-3-carboxylic acid
CID 125149368
3-[5-[4-(2-methylpropyl)phenyl]-1,3-oxazol-2-yl]-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one
CID 24608670

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-2-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]-1,3-oxazole?
The IUPAC name of 5-(4-fluorophenyl)-2-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]-1,3-oxazole (CID 18136751) is 5-(4-fluorophenyl)-2-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]-1,3-oxazole.
What is the SMILES notation for 5-(4-fluorophenyl)-2-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]-1,3-oxazole?
The canonical SMILES for 5-(4-fluorophenyl)-2-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]-1,3-oxazole is Fc1ccc(-c2cnc(CN3CCN(c4nccs4)CC3)o2)cc1.
What is the InChIKey of 5-(4-fluorophenyl)-2-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]-1,3-oxazole?
The InChIKey is JEMJDWDJOWXPCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4OS/c18-14-3-1-13(2-4-14)15-11-20-16(23-15)12-21-6-8-22(9-7-21)17-19-5-10-24-17/h1-5,10-11H,6-9,12H2.
What are the key properties of 5-(4-fluorophenyl)-2-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]-1,3-oxazole?
5-(4-fluorophenyl)-2-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]-1,3-oxazole has a molecular weight of 344.42 g/mol, XLogP of 3.26, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-2-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]-1,3-oxazole is sourced from PubChem (CID 18136751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).