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

C22H22FN3O3 — CID 71511412

IUPAC[4-(2-fluorophenyl)-2-methyl-1,3-oxazol-5-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
SMILESCOc1cccc(N2CCN(C(=O)c3oc(C)nc3-c3ccccc3F)CC2)c1
InChIInChI=1S/C22H22FN3O3/c1-15-24-20(18-8-3-4-9-19(18)23)21(29-15)22(27)26-12-10-25(11-13-26)16-6-5-7-17(14-16)28-2/h3-9,14H,10-13H2,1-2H3
InChIKeyUQTZCEORVVEYAI-UHFFFAOYSA-N
MW395.43 g/mol
LogP3.76
Rot. Bonds4

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

[4-(2-fluorophenyl)-2-methyl-1,3-oxazol-5-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone (PubChem CID 71511412) has the molecular formula C22H22FN3O3 and a molecular weight of 395.43 g/mol. Its IUPAC name is [4-(2-fluorophenyl)-2-methyl-1,3-oxazol-5-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[4-(2-fluorophenyl)-2-methyl-1,3-oxazol-5-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
PubChem CID71511412
Molecular FormulaC22H22FN3O3
Molecular Weight395.43 g/mol
Exact Mass395.16
IUPAC Name[4-(2-fluorophenyl)-2-methyl-1,3-oxazol-5-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
SMILESCOc1cccc(N2CCN(C(=O)c3oc(C)nc3-c3ccccc3F)CC2)c1
InChIInChI=1S/C22H22FN3O3/c1-15-24-20(18-8-3-4-9-19(18)23)21(29-15)22(27)26-12-10-25(11-13-26)16-6-5-7-17(14-16)28-2/h3-9,14H,10-13H2,1-2H3
InChIKeyUQTZCEORVVEYAI-UHFFFAOYSA-N
XLogP3.76
TPSA58.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.43
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Related Compounds

1-(5-(4-Methoxypyridin-2-yl)oxazol-2-yl)-7-phenylheptan-1-one
CID 16110651
[4-(4-Fluorophenyl)piperazin-1-yl]-(5-methyl-2-phenyl-1,3-oxazol-4-yl)methanone
CID 2572028
2-[5-Amino-2-(4-fluoro-phenyl)-6-oxo-6H-pyrimidin-1-yl]-N-[1-benzyl-2-(5-methoxy-benzooxazol-2-yl)-2-oxo-ethyl]-acetamide
CID 10721198
2-(3-aminophenoxy)-N-[(2S)-2-(2-benzoylanilino)-3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]propyl]acetamide
CID 11621704
N-[(2R)-1-(4-carbamoylpiperazin-1-yl)propan-2-yl]-2-(4-fluorophenyl)-4-propyl-1,3-oxazole-5-carboxamide
CID 16069102
N-[(2R)-1-(4-acetylpiperazin-1-yl)propan-2-yl]-2-(4-fluorophenyl)-4-propyl-1,3-oxazole-5-carboxamide
CID 16069103
Methyl 6-(2-(3-(4-phenoxyphenyl)propanoyl)oxazol-5-yl)pyridine-3-carboxylate
CID 24800000
Methyl 6-(2-(3-(4-(phenoxymethyl)phenyl)propanoyl)oxazol-5-yl)pyridine-3-carboxylate
CID 24800519
[4-(3,5-Difluorophenyl)piperazin-1-yl]-[4-(2-fluorophenyl)-2-methyl-1,3-oxazol-5-yl]methanone
CID 71511179
[4-(3-Methoxyphenyl)piperazin-1-yl]-(2-methyl-4-phenyl-1,3-oxazol-5-yl)methanone
CID 71511184
[4-(2-Fluorophenyl)piperazin-1-yl]-(2-methyl-4-phenyl-1,3-oxazol-5-yl)methanone
CID 71511234
[4-(3-Fluorophenyl)piperazin-1-yl]-(2-methyl-4-phenyl-1,3-oxazol-5-yl)methanone
CID 71511235

Frequently Asked Questions

What is the IUPAC name of [4-(2-fluorophenyl)-2-methyl-1,3-oxazol-5-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone?
The IUPAC name of [4-(2-fluorophenyl)-2-methyl-1,3-oxazol-5-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone (CID 71511412) is [4-(2-fluorophenyl)-2-methyl-1,3-oxazol-5-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for [4-(2-fluorophenyl)-2-methyl-1,3-oxazol-5-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone?
The canonical SMILES for [4-(2-fluorophenyl)-2-methyl-1,3-oxazol-5-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone is COc1cccc(N2CCN(C(=O)c3oc(C)nc3-c3ccccc3F)CC2)c1.
What is the InChIKey of [4-(2-fluorophenyl)-2-methyl-1,3-oxazol-5-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone?
The InChIKey is UQTZCEORVVEYAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O3/c1-15-24-20(18-8-3-4-9-19(18)23)21(29-15)22(27)26-12-10-25(11-13-26)16-6-5-7-17(14-16)28-2/h3-9,14H,10-13H2,1-2H3.
What are the key properties of [4-(2-fluorophenyl)-2-methyl-1,3-oxazol-5-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone?
[4-(2-fluorophenyl)-2-methyl-1,3-oxazol-5-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone has a molecular weight of 395.43 g/mol, XLogP of 3.76, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-fluorophenyl)-2-methyl-1,3-oxazol-5-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 71511412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).