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

C20H25FN4O — CID 126893083

IUPAC5-cyclopropyl-2-[[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]methyl]-1,3-oxazole
SMILESFc1ccc(N2CCN(C3CN(Cc4ncc(C5CC5)o4)C3)CC2)cc1
InChIInChI=1S/C20H25FN4O/c21-16-3-5-17(6-4-16)24-7-9-25(10-8-24)18-12-23(13-18)14-20-22-11-19(26-20)15-1-2-15/h3-6,11,15,18H,1-2,7-10,12-14H2
InChIKeyPMGXIRGOXAEOEA-UHFFFAOYSA-N
MW356.44 g/mol
LogP2.70
Rot. Bonds5

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

5-cyclopropyl-2-[[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]methyl]-1,3-oxazole (PubChem CID 126893083) has the molecular formula C20H25FN4O and a molecular weight of 356.44 g/mol. Its IUPAC name is 5-cyclopropyl-2-[[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]methyl]-1,3-oxazole.

Molecular Properties

Compound Name5-cyclopropyl-2-[[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]methyl]-1,3-oxazole
PubChem CID126893083
Molecular FormulaC20H25FN4O
Molecular Weight356.44 g/mol
Exact Mass356.20
IUPAC Name5-cyclopropyl-2-[[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]methyl]-1,3-oxazole
SMILESFc1ccc(N2CCN(C3CN(Cc4ncc(C5CC5)o4)C3)CC2)cc1
InChIInChI=1S/C20H25FN4O/c21-16-3-5-17(6-4-16)24-7-9-25(10-8-24)18-12-23(13-18)14-20-22-11-19(26-20)15-1-2-15/h3-6,11,15,18H,1-2,7-10,12-14H2
InChIKeyPMGXIRGOXAEOEA-UHFFFAOYSA-N
XLogP2.70
TPSA35.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.44
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-cyclopropyl-2-[[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]methyl]-1,3-oxazole with MolForge

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Related Compounds

2-[[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]methyl]-5-methyl-1,3-oxazole
CID 126893085
5-cyclopropyl-2-[[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]-1,3-oxazole
CID 126893542
5-[[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]methyl]-2-methyl-1,3-thiazole
CID 126893073
3-[[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]methyl]-4-methyl-1,2,5-oxadiazole
CID 126893053
4-[[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole
CID 126892942
1-(4-fluorophenyl)-4-[1-[(5-methyl-1H-pyrazol-3-yl)methyl]azetidin-3-yl]piperazine
CID 126893111
4-[2-[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]ethyl]-1,4-oxazepane
CID 126893121
2-[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]pyrimidine
CID 126892915
1-(4-fluorophenyl)-4-[1-[(5-methylfuran-2-yl)methyl]piperidin-3-yl]piperazine
CID 45167770
4-[4-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]piperazin-1-yl]phenol
CID 9027611
2-[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]pyrazine
CID 126892909
5-[[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]methyl]-1-methylpyridin-2-one
CID 126893048

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-2-[[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]methyl]-1,3-oxazole?
The IUPAC name of 5-cyclopropyl-2-[[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]methyl]-1,3-oxazole (CID 126893083) is 5-cyclopropyl-2-[[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]methyl]-1,3-oxazole.
What is the SMILES notation for 5-cyclopropyl-2-[[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]methyl]-1,3-oxazole?
The canonical SMILES for 5-cyclopropyl-2-[[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]methyl]-1,3-oxazole is Fc1ccc(N2CCN(C3CN(Cc4ncc(C5CC5)o4)C3)CC2)cc1.
What is the InChIKey of 5-cyclopropyl-2-[[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]methyl]-1,3-oxazole?
The InChIKey is PMGXIRGOXAEOEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN4O/c21-16-3-5-17(6-4-16)24-7-9-25(10-8-24)18-12-23(13-18)14-20-22-11-19(26-20)15-1-2-15/h3-6,11,15,18H,1-2,7-10,12-14H2.
What are the key properties of 5-cyclopropyl-2-[[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]methyl]-1,3-oxazole?
5-cyclopropyl-2-[[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]methyl]-1,3-oxazole has a molecular weight of 356.44 g/mol, XLogP of 2.70, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-2-[[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]methyl]-1,3-oxazole is sourced from PubChem (CID 126893083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).