1-[4-[5-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-2-methylpiperazin-1-yl]-2-methylpropan-2-ol

C18H25FN4O2 — CID 138036471

IUPAC1-[4-[5-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-2-methylpiperazin-1-yl]-2-methylpropan-2-ol
SMILESCC1CN(c2noc(Cc3ccc(F)cc3)n2)CCN1CC(C)(C)O
InChIInChI=1S/C18H25FN4O2/c1-13-11-22(8-9-23(13)12-18(2,3)24)17-20-16(25-21-17)10-14-4-6-15(19)7-5-14/h4-7,13,24H,8-12H2,1-3H3
InChIKeyADUQRSNIDFHXRL-UHFFFAOYSA-N
MW348.42 g/mol
LogP2.08
Rot. Bonds5

About 1-[4-[5-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-2-methylpiperazin-1-yl]-2-methylpropan-2-ol

1-[4-[5-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-2-methylpiperazin-1-yl]-2-methylpropan-2-ol (PubChem CID 138036471) has the molecular formula C18H25FN4O2 and a molecular weight of 348.42 g/mol. Its IUPAC name is 1-[4-[5-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-2-methylpiperazin-1-yl]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[4-[5-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-2-methylpiperazin-1-yl]-2-methylpropan-2-ol
PubChem CID138036471
Molecular FormulaC18H25FN4O2
Molecular Weight348.42 g/mol
Exact Mass348.20
IUPAC Name1-[4-[5-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-2-methylpiperazin-1-yl]-2-methylpropan-2-ol
SMILESCC1CN(c2noc(Cc3ccc(F)cc3)n2)CCN1CC(C)(C)O
InChIInChI=1S/C18H25FN4O2/c1-13-11-22(8-9-23(13)12-18(2,3)24)17-20-16(25-21-17)10-14-4-6-15(19)7-5-14/h4-7,13,24H,8-12H2,1-3H3
InChIKeyADUQRSNIDFHXRL-UHFFFAOYSA-N
XLogP2.08
TPSA65.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(4-fluorophenyl)methyl]-3-[3-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]-1,2,4-oxadiazole
CID 167788441
4-[[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]methyl]phenol
CID 116809545
1-[(2S)-4-(5-bromo-2-pyridinyl)-2-methylpiperazin-1-yl]-2-methylpropan-2-ol
CID 125138255
5-[(4-fluorophenyl)methyl]-3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazole
CID 50769641
2-[5-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]butan-2-amine
CID 61354499
5-[(4-fluorophenyl)methyl]-3-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]-1,2,4-oxadiazole
CID 10111916
3-[(3-fluorophenyl)methyl]-5-[[2-methyl-4-(2-methylphenyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 45245257
1-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-methylpropan-2-ol
CID 111112622
1-[4-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-2-methylpiperazin-1-yl]-3,3-dimethylbutan-1-one
CID 3265237
1-amino-3-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-2-methylpropan-2-ol
CID 66002773
2-[[5-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-methylamino]acetic acid
CID 167899340
5-[(4-fluorophenyl)methyl]-3-piperidin-4-yl-1,2,4-oxadiazole
CID 63015400

Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-2-methylpiperazin-1-yl]-2-methylpropan-2-ol?
The IUPAC name of 1-[4-[5-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-2-methylpiperazin-1-yl]-2-methylpropan-2-ol (CID 138036471) is 1-[4-[5-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-2-methylpiperazin-1-yl]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[4-[5-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-2-methylpiperazin-1-yl]-2-methylpropan-2-ol?
The canonical SMILES for 1-[4-[5-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-2-methylpiperazin-1-yl]-2-methylpropan-2-ol is CC1CN(c2noc(Cc3ccc(F)cc3)n2)CCN1CC(C)(C)O.
What is the InChIKey of 1-[4-[5-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-2-methylpiperazin-1-yl]-2-methylpropan-2-ol?
The InChIKey is ADUQRSNIDFHXRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN4O2/c1-13-11-22(8-9-23(13)12-18(2,3)24)17-20-16(25-21-17)10-14-4-6-15(19)7-5-14/h4-7,13,24H,8-12H2,1-3H3.
What are the key properties of 1-[4-[5-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-2-methylpiperazin-1-yl]-2-methylpropan-2-ol?
1-[4-[5-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-2-methylpiperazin-1-yl]-2-methylpropan-2-ol has a molecular weight of 348.42 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[5-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-2-methylpiperazin-1-yl]-2-methylpropan-2-ol is sourced from PubChem (CID 138036471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).