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

C22H22FN3O3 — CID 71511414

IUPAC[4-(4-fluorophenyl)-2-methyl-1,3-oxazol-5-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
SMILESCOc1cccc(N2CCN(C(=O)c3oc(C)nc3-c3ccc(F)cc3)CC2)c1
InChIInChI=1S/C22H22FN3O3/c1-15-24-20(16-6-8-17(23)9-7-16)21(29-15)22(27)26-12-10-25(11-13-26)18-4-3-5-19(14-18)28-2/h3-9,14H,10-13H2,1-2H3
InChIKeyVDIXTJRULUFJEV-UHFFFAOYSA-N
MW395.43 g/mol
LogP3.76
Rot. Bonds4

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

[4-(4-fluorophenyl)-2-methyl-1,3-oxazol-5-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone (PubChem CID 71511414) has the molecular formula C22H22FN3O3 and a molecular weight of 395.43 g/mol. Its IUPAC name is [4-(4-fluorophenyl)-2-methyl-1,3-oxazol-5-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[4-(4-fluorophenyl)-2-methyl-1,3-oxazol-5-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
PubChem CID71511414
Molecular FormulaC22H22FN3O3
Molecular Weight395.43 g/mol
Exact Mass395.16
IUPAC Name[4-(4-fluorophenyl)-2-methyl-1,3-oxazol-5-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
SMILESCOc1cccc(N2CCN(C(=O)c3oc(C)nc3-c3ccc(F)cc3)CC2)c1
InChIInChI=1S/C22H22FN3O3/c1-15-24-20(16-6-8-17(23)9-7-16)21(29-15)22(27)26-12-10-25(11-13-26)18-4-3-5-19(14-18)28-2/h3-9,14H,10-13H2,1-2H3
InChIKeyVDIXTJRULUFJEV-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

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Frequently Asked Questions

What is the IUPAC name of [4-(4-fluorophenyl)-2-methyl-1,3-oxazol-5-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone?
The IUPAC name of [4-(4-fluorophenyl)-2-methyl-1,3-oxazol-5-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone (CID 71511414) is [4-(4-fluorophenyl)-2-methyl-1,3-oxazol-5-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for [4-(4-fluorophenyl)-2-methyl-1,3-oxazol-5-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone?
The canonical SMILES for [4-(4-fluorophenyl)-2-methyl-1,3-oxazol-5-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone is COc1cccc(N2CCN(C(=O)c3oc(C)nc3-c3ccc(F)cc3)CC2)c1.
What is the InChIKey of [4-(4-fluorophenyl)-2-methyl-1,3-oxazol-5-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone?
The InChIKey is VDIXTJRULUFJEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O3/c1-15-24-20(16-6-8-17(23)9-7-16)21(29-15)22(27)26-12-10-25(11-13-26)18-4-3-5-19(14-18)28-2/h3-9,14H,10-13H2,1-2H3.
What are the key properties of [4-(4-fluorophenyl)-2-methyl-1,3-oxazol-5-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone?
[4-(4-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-(4-fluorophenyl)-2-methyl-1,3-oxazol-5-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 71511414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).