2-fluoro-4-[5-(1-piperazin-1-ylethyl)-1,2,4-oxadiazol-3-yl]phenol

C14H17FN4O2 — CID 136809988

IUPAC2-fluoro-4-[5-(1-piperazin-1-ylethyl)-1,2,4-oxadiazol-3-yl]phenol
SMILESCC(c1nc(-c2ccc(O)c(F)c2)no1)N1CCNCC1
InChIInChI=1S/C14H17FN4O2/c1-9(19-6-4-16-5-7-19)14-17-13(18-21-14)10-2-3-12(20)11(15)8-10/h2-3,8-9,16,20H,4-7H2,1H3
InChIKeyWXKAAVXTRZHSGD-UHFFFAOYSA-N
MW292.31 g/mol
LogP1.55
Rot. Bonds3

About 2-fluoro-4-[5-(1-piperazin-1-ylethyl)-1,2,4-oxadiazol-3-yl]phenol

2-fluoro-4-[5-(1-piperazin-1-ylethyl)-1,2,4-oxadiazol-3-yl]phenol (PubChem CID 136809988) has the molecular formula C14H17FN4O2 and a molecular weight of 292.31 g/mol. Its IUPAC name is 2-fluoro-4-[5-(1-piperazin-1-ylethyl)-1,2,4-oxadiazol-3-yl]phenol.

Molecular Properties

Compound Name2-fluoro-4-[5-(1-piperazin-1-ylethyl)-1,2,4-oxadiazol-3-yl]phenol
PubChem CID136809988
Molecular FormulaC14H17FN4O2
Molecular Weight292.31 g/mol
Exact Mass292.13
IUPAC Name2-fluoro-4-[5-(1-piperazin-1-ylethyl)-1,2,4-oxadiazol-3-yl]phenol
SMILESCC(c1nc(-c2ccc(O)c(F)c2)no1)N1CCNCC1
InChIInChI=1S/C14H17FN4O2/c1-9(19-6-4-16-5-7-19)14-17-13(18-21-14)10-2-3-12(20)11(15)8-10/h2-3,8-9,16,20H,4-7H2,1H3
InChIKeyWXKAAVXTRZHSGD-UHFFFAOYSA-N
XLogP1.55
TPSA74.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.31
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(3-bromo-4-fluorophenyl)-5-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole
CID 82788334
3-(3-fluorophenyl)-5-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole
CID 62311650
2-[4-[1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]phenol
CID 86993111
4-[5-(1,4-diazepan-1-ylmethyl)-1,2,4-oxadiazol-3-yl]-2-fluorophenol
CID 136810164
3-(3-fluoro-4-methylphenyl)-5-[(1S)-1-[4-(5-methyl-1H-pyrazol-3-yl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole
CID 99823662
4-[1-[1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperidin-4-yl]phenol
CID 78898660
4-[5-[(1S)-1-aminobutyl]-1,2,4-oxadiazol-3-yl]-2-fluorophenol
CID 136999024
(3R)-1-[(1R)-1-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperidin-3-ol
CID 98762941
4-[5-[(1S)-3-amino-1-hydroxypropyl]-1,2,4-oxadiazol-3-yl]-2-fluorophenol
CID 136755763
4-[5-(1-amino-2-methoxyethyl)-1,2,4-oxadiazol-3-yl]-2-fluorophenol
CID 136810007
(8aS)-7-[(1R)-1-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 98773637
3-(3-fluoro-4-methylphenyl)-5-[1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole
CID 126771667

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[5-(1-piperazin-1-ylethyl)-1,2,4-oxadiazol-3-yl]phenol?
The IUPAC name of 2-fluoro-4-[5-(1-piperazin-1-ylethyl)-1,2,4-oxadiazol-3-yl]phenol (CID 136809988) is 2-fluoro-4-[5-(1-piperazin-1-ylethyl)-1,2,4-oxadiazol-3-yl]phenol.
What is the SMILES notation for 2-fluoro-4-[5-(1-piperazin-1-ylethyl)-1,2,4-oxadiazol-3-yl]phenol?
The canonical SMILES for 2-fluoro-4-[5-(1-piperazin-1-ylethyl)-1,2,4-oxadiazol-3-yl]phenol is CC(c1nc(-c2ccc(O)c(F)c2)no1)N1CCNCC1.
What is the InChIKey of 2-fluoro-4-[5-(1-piperazin-1-ylethyl)-1,2,4-oxadiazol-3-yl]phenol?
The InChIKey is WXKAAVXTRZHSGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN4O2/c1-9(19-6-4-16-5-7-19)14-17-13(18-21-14)10-2-3-12(20)11(15)8-10/h2-3,8-9,16,20H,4-7H2,1H3.
What are the key properties of 2-fluoro-4-[5-(1-piperazin-1-ylethyl)-1,2,4-oxadiazol-3-yl]phenol?
2-fluoro-4-[5-(1-piperazin-1-ylethyl)-1,2,4-oxadiazol-3-yl]phenol has a molecular weight of 292.31 g/mol, XLogP of 1.55, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[5-(1-piperazin-1-ylethyl)-1,2,4-oxadiazol-3-yl]phenol is sourced from PubChem (CID 136809988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).