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

C20H20FN3O — CID 1484771

IUPAC3-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-5-phenyl-1,2-oxazole
SMILESFc1ccccc1N1CCN(Cc2cc(-c3ccccc3)on2)CC1
InChIInChI=1S/C20H20FN3O/c21-18-8-4-5-9-19(18)24-12-10-23(11-13-24)15-17-14-20(25-22-17)16-6-2-1-3-7-16/h1-9,14H,10-13,15H2
InChIKeyNXVQEEDIHKYYAA-UHFFFAOYSA-N
MW337.40 g/mol
LogP3.80
Rot. Bonds4

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

3-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-5-phenyl-1,2-oxazole (PubChem CID 1484771) has the molecular formula C20H20FN3O and a molecular weight of 337.40 g/mol. Its IUPAC name is 3-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-5-phenyl-1,2-oxazole.

Molecular Properties

Compound Name3-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-5-phenyl-1,2-oxazole
PubChem CID1484771
Molecular FormulaC20H20FN3O
Molecular Weight337.40 g/mol
Exact Mass337.16
IUPAC Name3-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-5-phenyl-1,2-oxazole
SMILESFc1ccccc1N1CCN(Cc2cc(-c3ccccc3)on2)CC1
InChIInChI=1S/C20H20FN3O/c21-18-8-4-5-9-19(18)24-12-10-23(11-13-24)15-17-14-20(25-22-17)16-6-2-1-3-7-16/h1-9,14H,10-13,15H2
InChIKeyNXVQEEDIHKYYAA-UHFFFAOYSA-N
XLogP3.80
TPSA32.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

S-18327
CID 9953269
Azepan-1-yl-(5-phenyl-isoxazol-3-yl)-methanone
CID 1093742
5-Phenylisoxazol-3-yl 4-phenylpiperazinyl ketone
CID 1250455
(E)-3-(2-(1-benzylpiperidin-4-yl)vinyl)benzo[d]isoxazole
CID 9901561
3-(3-(1-Benzylpiperidin-4-yl)propyl)benzo[d]isoxazole
CID 10246305
5-(4-Chlorophenyl)isoxazol-3-yl 4-phenylpiperazinyl ketone
CID 17252726
N-cyclohexyl-N-methyl-5-phenyl-1,2-oxazole-3-carboxamide
CID 3158158
N-cyclohexyl-5-(4-fluorophenyl)-3-isoxazolecarboxamide
CID 15992620
4-[5-(4-Fluorophenyl)-1,2-oxazole-3-carbonyl]morpholine
CID 22427390
2-[(5-Phenyl-3-isoxazolyl)carbonyl]-1,2,3,4-tetrahydroisoquinoline
CID 973876
N-cyclohexyl-N-methyl-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 1093791
3-(2-(1-Benzylpiperidin-4-yl)ethyl)benzo[d]isoxazole
CID 9836764

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-5-phenyl-1,2-oxazole?
The IUPAC name of 3-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-5-phenyl-1,2-oxazole (CID 1484771) is 3-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-5-phenyl-1,2-oxazole.
What is the SMILES notation for 3-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-5-phenyl-1,2-oxazole?
The canonical SMILES for 3-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-5-phenyl-1,2-oxazole is Fc1ccccc1N1CCN(Cc2cc(-c3ccccc3)on2)CC1.
What is the InChIKey of 3-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-5-phenyl-1,2-oxazole?
The InChIKey is NXVQEEDIHKYYAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O/c21-18-8-4-5-9-19(18)24-12-10-23(11-13-24)15-17-14-20(25-22-17)16-6-2-1-3-7-16/h1-9,14H,10-13,15H2.
What are the key properties of 3-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-5-phenyl-1,2-oxazole?
3-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-5-phenyl-1,2-oxazole has a molecular weight of 337.40 g/mol, XLogP of 3.80, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-5-phenyl-1,2-oxazole is sourced from PubChem (CID 1484771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).