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

C22H22FN3O3 — CID 19323301

IUPAC[5-(4-fluorophenyl)-1,2-oxazol-3-yl]-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]methanone
SMILESCOc1cccc(CN2CCN(C(=O)c3cc(-c4ccc(F)cc4)on3)CC2)c1
InChIInChI=1S/C22H22FN3O3/c1-28-19-4-2-3-16(13-19)15-25-9-11-26(12-10-25)22(27)20-14-21(29-24-20)17-5-7-18(23)8-6-17/h2-8,13-14H,9-12,15H2,1H3
InChIKeyNBLABCHKFJQXGT-UHFFFAOYSA-N
MW395.43 g/mol
LogP3.45
Rot. Bonds5

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

[5-(4-fluorophenyl)-1,2-oxazol-3-yl]-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]methanone (PubChem CID 19323301) has the molecular formula C22H22FN3O3 and a molecular weight of 395.43 g/mol. Its IUPAC name is [5-(4-fluorophenyl)-1,2-oxazol-3-yl]-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name[5-(4-fluorophenyl)-1,2-oxazol-3-yl]-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]methanone
PubChem CID19323301
Molecular FormulaC22H22FN3O3
Molecular Weight395.43 g/mol
Exact Mass395.16
IUPAC Name[5-(4-fluorophenyl)-1,2-oxazol-3-yl]-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]methanone
SMILESCOc1cccc(CN2CCN(C(=O)c3cc(-c4ccc(F)cc4)on3)CC2)c1
InChIInChI=1S/C22H22FN3O3/c1-28-19-4-2-3-16(13-19)15-25-9-11-26(12-10-25)22(27)20-14-21(29-24-20)17-5-7-18(23)8-6-17/h2-8,13-14H,9-12,15H2,1H3
InChIKeyNBLABCHKFJQXGT-UHFFFAOYSA-N
XLogP3.45
TPSA58.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.43
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [5-(4-fluorophenyl)-1,2-oxazol-3-yl]-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]methanone with MolForge

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Related Compounds

(4-benzylpiperazin-1-yl)-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methanone
CID 17252730
[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-pyrrolidin-1-ylmethanone
CID 22427421
[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-[5-(2-methoxyphenyl)-1,2-oxazol-3-yl]methanone
CID 37317671
[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-(5-pyridin-4-yl-1,2-oxazol-3-yl)methanone
CID 112844802
[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-(5-phenyl-1,2-oxazol-4-yl)methanone
CID 74243553
[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone
CID 55405887
[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]-[5-(4-methylphenyl)-1,2-oxazol-3-yl]methanone
CID 19327679
N-[2-(4-benzylpiperazine-1-carbonyl)-1-benzofuran-3-yl]-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide
CID 22510952
tert-butyl 4-[5-(3-methoxyphenyl)-1,2-oxazole-3-carbonyl]piperazine-1-carboxylate
CID 110312683
(4-benzylpiperazin-1-yl)-[1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]cyclopropyl]methanone
CID 90503696
[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-[4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methanone
CID 24614336
[3-(difluoromethoxy)phenyl]-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 19297405

Frequently Asked Questions

What is the IUPAC name of [5-(4-fluorophenyl)-1,2-oxazol-3-yl]-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]methanone?
The IUPAC name of [5-(4-fluorophenyl)-1,2-oxazol-3-yl]-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]methanone (CID 19323301) is [5-(4-fluorophenyl)-1,2-oxazol-3-yl]-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]methanone.
What is the SMILES notation for [5-(4-fluorophenyl)-1,2-oxazol-3-yl]-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]methanone?
The canonical SMILES for [5-(4-fluorophenyl)-1,2-oxazol-3-yl]-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]methanone is COc1cccc(CN2CCN(C(=O)c3cc(-c4ccc(F)cc4)on3)CC2)c1.
What is the InChIKey of [5-(4-fluorophenyl)-1,2-oxazol-3-yl]-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]methanone?
The InChIKey is NBLABCHKFJQXGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O3/c1-28-19-4-2-3-16(13-19)15-25-9-11-26(12-10-25)22(27)20-14-21(29-24-20)17-5-7-18(23)8-6-17/h2-8,13-14H,9-12,15H2,1H3.
What are the key properties of [5-(4-fluorophenyl)-1,2-oxazol-3-yl]-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]methanone?
[5-(4-fluorophenyl)-1,2-oxazol-3-yl]-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]methanone has a molecular weight of 395.43 g/mol, XLogP of 3.45, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-fluorophenyl)-1,2-oxazol-3-yl]-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 19323301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).