4-[4-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]piperazin-1-yl]phenol

C20H20FN3O2 — CID 9027611

IUPAC4-[4-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]piperazin-1-yl]phenol
SMILESOc1ccc(N2CCN(Cc3ncc(-c4ccc(F)cc4)o3)CC2)cc1
InChIInChI=1S/C20H20FN3O2/c21-16-3-1-15(2-4-16)19-13-22-20(26-19)14-23-9-11-24(12-10-23)17-5-7-18(25)8-6-17/h1-8,13,25H,9-12,14H2
InChIKeyHVOHGRDJZBNOFH-UHFFFAOYSA-N
MW353.40 g/mol
LogP3.51
Rot. Bonds4

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

4-[4-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]piperazin-1-yl]phenol (PubChem CID 9027611) has the molecular formula C20H20FN3O2 and a molecular weight of 353.40 g/mol. Its IUPAC name is 4-[4-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]piperazin-1-yl]phenol.

Molecular Properties

Compound Name4-[4-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]piperazin-1-yl]phenol
PubChem CID9027611
Molecular FormulaC20H20FN3O2
Molecular Weight353.40 g/mol
Exact Mass353.15
IUPAC Name4-[4-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]piperazin-1-yl]phenol
SMILESOc1ccc(N2CCN(Cc3ncc(-c4ccc(F)cc4)o3)CC2)cc1
InChIInChI=1S/C20H20FN3O2/c21-16-3-1-15(2-4-16)19-13-22-20(26-19)14-23-9-11-24(12-10-23)17-5-7-18(25)8-6-17/h1-8,13,25H,9-12,14H2
InChIKeyHVOHGRDJZBNOFH-UHFFFAOYSA-N
XLogP3.51
TPSA52.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-5-(4-methoxyphenyl)-1,3-oxazole
CID 48631704
5-(4-fluorophenyl)-2-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]-1,3-oxazole
CID 18136751
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
(3R)-1-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]piperidine-3-carboxylic acid
CID 125149368
tert-butyl 4-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-1,4-diazepane-1-carboxylate
CID 78903605
(2S)-1-[(2S)-4-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-2-methylpiperazin-1-yl]propan-2-ol
CID 98763700
1-[4-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-2-methylpiperazin-1-yl]propan-2-ol
CID 56778692
(2R)-1-[(2S)-4-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-2-methylpiperazin-1-yl]propan-2-ol
CID 95602167
4-[1-[(5-phenyl-1,3-oxazol-2-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]phenol
CID 18125115
4-[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]phenol
CID 37046511
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-1-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]propan-1-one
CID 87030097

Frequently Asked Questions

What is the IUPAC name of 4-[4-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]piperazin-1-yl]phenol?
The IUPAC name of 4-[4-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]piperazin-1-yl]phenol (CID 9027611) is 4-[4-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]piperazin-1-yl]phenol.
What is the SMILES notation for 4-[4-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]piperazin-1-yl]phenol?
The canonical SMILES for 4-[4-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]piperazin-1-yl]phenol is Oc1ccc(N2CCN(Cc3ncc(-c4ccc(F)cc4)o3)CC2)cc1.
What is the InChIKey of 4-[4-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]piperazin-1-yl]phenol?
The InChIKey is HVOHGRDJZBNOFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O2/c21-16-3-1-15(2-4-16)19-13-22-20(26-19)14-23-9-11-24(12-10-23)17-5-7-18(25)8-6-17/h1-8,13,25H,9-12,14H2.
What are the key properties of 4-[4-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]piperazin-1-yl]phenol?
4-[4-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]piperazin-1-yl]phenol has a molecular weight of 353.40 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]piperazin-1-yl]phenol is sourced from PubChem (CID 9027611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).