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

C23H24FN3O3 — CID 71511415

IUPAC[2-ethyl-4-(4-fluorophenyl)-1,3-oxazol-5-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
SMILESCCc1nc(-c2ccc(F)cc2)c(C(=O)N2CCN(c3cccc(OC)c3)CC2)o1
InChIInChI=1S/C23H24FN3O3/c1-3-20-25-21(16-7-9-17(24)10-8-16)22(30-20)23(28)27-13-11-26(12-14-27)18-5-4-6-19(15-18)29-2/h4-10,15H,3,11-14H2,1-2H3
InChIKeyWYXFPZYZKGHGRN-UHFFFAOYSA-N
MW409.46 g/mol
LogP4.01
Rot. Bonds5

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

[2-ethyl-4-(4-fluorophenyl)-1,3-oxazol-5-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone (PubChem CID 71511415) has the molecular formula C23H24FN3O3 and a molecular weight of 409.46 g/mol. Its IUPAC name is [2-ethyl-4-(4-fluorophenyl)-1,3-oxazol-5-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[2-ethyl-4-(4-fluorophenyl)-1,3-oxazol-5-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
PubChem CID71511415
Molecular FormulaC23H24FN3O3
Molecular Weight409.46 g/mol
Exact Mass409.18
IUPAC Name[2-ethyl-4-(4-fluorophenyl)-1,3-oxazol-5-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
SMILESCCc1nc(-c2ccc(F)cc2)c(C(=O)N2CCN(c3cccc(OC)c3)CC2)o1
InChIInChI=1S/C23H24FN3O3/c1-3-20-25-21(16-7-9-17(24)10-8-16)22(30-20)23(28)27-13-11-26(12-14-27)18-5-4-6-19(15-18)29-2/h4-10,15H,3,11-14H2,1-2H3
InChIKeyWYXFPZYZKGHGRN-UHFFFAOYSA-N
XLogP4.01
TPSA58.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.46
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-ethyl-4-(4-fluorophenyl)-1,3-oxazol-5-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone?
The IUPAC name of [2-ethyl-4-(4-fluorophenyl)-1,3-oxazol-5-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone (CID 71511415) is [2-ethyl-4-(4-fluorophenyl)-1,3-oxazol-5-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for [2-ethyl-4-(4-fluorophenyl)-1,3-oxazol-5-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone?
The canonical SMILES for [2-ethyl-4-(4-fluorophenyl)-1,3-oxazol-5-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone is CCc1nc(-c2ccc(F)cc2)c(C(=O)N2CCN(c3cccc(OC)c3)CC2)o1.
What is the InChIKey of [2-ethyl-4-(4-fluorophenyl)-1,3-oxazol-5-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone?
The InChIKey is WYXFPZYZKGHGRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O3/c1-3-20-25-21(16-7-9-17(24)10-8-16)22(30-20)23(28)27-13-11-26(12-14-27)18-5-4-6-19(15-18)29-2/h4-10,15H,3,11-14H2,1-2H3.
What are the key properties of [2-ethyl-4-(4-fluorophenyl)-1,3-oxazol-5-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone?
[2-ethyl-4-(4-fluorophenyl)-1,3-oxazol-5-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone has a molecular weight of 409.46 g/mol, XLogP of 4.01, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-ethyl-4-(4-fluorophenyl)-1,3-oxazol-5-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 71511415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).