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

C21H23FN4OS — CID 126822631

IUPAC2-cyclopropyl-5-[[4-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]methyl]-1,3-oxazole
SMILESFc1ccc(-c2nc(CN3CCN(Cc4cnc(C5CC5)o4)CC3)cs2)cc1
InChIInChI=1S/C21H23FN4OS/c22-17-5-3-16(4-6-17)21-24-18(14-28-21)12-25-7-9-26(10-8-25)13-19-11-23-20(27-19)15-1-2-15/h3-6,11,14-15H,1-2,7-10,12-13H2
InChIKeyOKAITFXRYHIHOM-UHFFFAOYSA-N
MW398.51 g/mol
LogP4.13
Rot. Bonds6

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

2-cyclopropyl-5-[[4-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]methyl]-1,3-oxazole (PubChem CID 126822631) has the molecular formula C21H23FN4OS and a molecular weight of 398.51 g/mol. Its IUPAC name is 2-cyclopropyl-5-[[4-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]methyl]-1,3-oxazole.

Molecular Properties

Compound Name2-cyclopropyl-5-[[4-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]methyl]-1,3-oxazole
PubChem CID126822631
Molecular FormulaC21H23FN4OS
Molecular Weight398.51 g/mol
Exact Mass398.16
IUPAC Name2-cyclopropyl-5-[[4-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]methyl]-1,3-oxazole
SMILESFc1ccc(-c2nc(CN3CCN(Cc4cnc(C5CC5)o4)CC3)cs2)cc1
InChIInChI=1S/C21H23FN4OS/c22-17-5-3-16(4-6-17)21-24-18(14-28-21)12-25-7-9-26(10-8-25)13-19-11-23-20(27-19)15-1-2-15/h3-6,11,14-15H,1-2,7-10,12-13H2
InChIKeyOKAITFXRYHIHOM-UHFFFAOYSA-N
XLogP4.13
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5-[[4-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]methyl]-1,3-oxazole?
The IUPAC name of 2-cyclopropyl-5-[[4-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]methyl]-1,3-oxazole (CID 126822631) is 2-cyclopropyl-5-[[4-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]methyl]-1,3-oxazole.
What is the SMILES notation for 2-cyclopropyl-5-[[4-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]methyl]-1,3-oxazole?
The canonical SMILES for 2-cyclopropyl-5-[[4-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]methyl]-1,3-oxazole is Fc1ccc(-c2nc(CN3CCN(Cc4cnc(C5CC5)o4)CC3)cs2)cc1.
What is the InChIKey of 2-cyclopropyl-5-[[4-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]methyl]-1,3-oxazole?
The InChIKey is OKAITFXRYHIHOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4OS/c22-17-5-3-16(4-6-17)21-24-18(14-28-21)12-25-7-9-26(10-8-25)13-19-11-23-20(27-19)15-1-2-15/h3-6,11,14-15H,1-2,7-10,12-13H2.
What are the key properties of 2-cyclopropyl-5-[[4-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]methyl]-1,3-oxazole?
2-cyclopropyl-5-[[4-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]methyl]-1,3-oxazole has a molecular weight of 398.51 g/mol, XLogP of 4.13, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5-[[4-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]methyl]-1,3-oxazole is sourced from PubChem (CID 126822631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).