3-[6-(4-fluorophenoxy)-3-pyridinyl]-5-[(4-methylpiperazin-1-yl)-phenylmethyl]-1,2,4-oxadiazole

C25H24FN5O2 — CID 102563402

IUPAC3-[6-(4-fluorophenoxy)-3-pyridinyl]-5-[(4-methylpiperazin-1-yl)-phenylmethyl]-1,2,4-oxadiazole
SMILESCN1CCN(C(c2ccccc2)c2nc(-c3ccc(Oc4ccc(F)cc4)nc3)no2)CC1
InChIInChI=1S/C25H24FN5O2/c1-30-13-15-31(16-14-30)23(18-5-3-2-4-6-18)25-28-24(29-33-25)19-7-12-22(27-17-19)32-21-10-8-20(26)9-11-21/h2-12,17,23H,13-16H2,1H3
InChIKeyFCYXATCPXJCUSV-UHFFFAOYSA-N
MW445.50 g/mol
LogP4.40
Rot. Bonds6

About 3-[6-(4-fluorophenoxy)-3-pyridinyl]-5-[(4-methylpiperazin-1-yl)-phenylmethyl]-1,2,4-oxadiazole

3-[6-(4-fluorophenoxy)-3-pyridinyl]-5-[(4-methylpiperazin-1-yl)-phenylmethyl]-1,2,4-oxadiazole (PubChem CID 102563402) has the molecular formula C25H24FN5O2 and a molecular weight of 445.50 g/mol. Its IUPAC name is 3-[6-(4-fluorophenoxy)-3-pyridinyl]-5-[(4-methylpiperazin-1-yl)-phenylmethyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[6-(4-fluorophenoxy)-3-pyridinyl]-5-[(4-methylpiperazin-1-yl)-phenylmethyl]-1,2,4-oxadiazole
PubChem CID102563402
Molecular FormulaC25H24FN5O2
Molecular Weight445.50 g/mol
Exact Mass445.19
IUPAC Name3-[6-(4-fluorophenoxy)-3-pyridinyl]-5-[(4-methylpiperazin-1-yl)-phenylmethyl]-1,2,4-oxadiazole
SMILESCN1CCN(C(c2ccccc2)c2nc(-c3ccc(Oc4ccc(F)cc4)nc3)no2)CC1
InChIInChI=1S/C25H24FN5O2/c1-30-13-15-31(16-14-30)23(18-5-3-2-4-6-18)25-28-24(29-33-25)19-7-12-22(27-17-19)32-21-10-8-20(26)9-11-21/h2-12,17,23H,13-16H2,1H3
InChIKeyFCYXATCPXJCUSV-UHFFFAOYSA-N
XLogP4.40
TPSA67.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.50
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-[6-(4-fluorophenoxy)-3-pyridinyl]-5-[(4-methylpiperazin-1-yl)-phenylmethyl]-1,2,4-oxadiazole with MolForge

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Related Compounds

5-[(3-bromophenyl)-pyrrolidin-1-ylmethyl]-3-(6-methoxy-3-pyridinyl)-1,2,4-oxadiazole
CID 119036250
1-[(4-fluorophenyl)-phenylmethyl]-4-methylpiperazine
CID 67474730
1-[3-[6-(4-fluorophenoxy)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]cyclobutane-1-carbonitrile
CID 71863986
1-[6-(4-fluorophenoxy)-3-pyridinyl]-4-methyl-1,4-diazepane
CID 91526375
2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-phenylacetamide
CID 56504946
1-benzhydryl-4-methylpiperazine
CID 6726
1-[4-[5-[6-(4-phenoxyphenoxy)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]phenyl]-1,3-diazinan-2-one
CID 166378743
5-(5-azaspiro[2.4]heptan-2-yl)-3-[6-(4-fluorophenoxy)-3-pyridinyl]-1,2,4-oxadiazole;hydrochloride
CID 120840549
1-methyl-4-[phenyl-[4-(1H-pyrazol-4-yl)phenyl]methyl]-1,4-diazepane
CID 11175409
1-[6-[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenoxy]-3-pyridinyl]-1,7,9-triazaspiro[4.5]decane-6,8,10-trione
CID 22379585
5-[1-(4-benzhydrylpiperazin-1-yl)ethyl]-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole
CID 71866134
3,3-dimethyl-1-[phenyl-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-amine
CID 120774488

Frequently Asked Questions

What is the IUPAC name of 3-[6-(4-fluorophenoxy)-3-pyridinyl]-5-[(4-methylpiperazin-1-yl)-phenylmethyl]-1,2,4-oxadiazole?
The IUPAC name of 3-[6-(4-fluorophenoxy)-3-pyridinyl]-5-[(4-methylpiperazin-1-yl)-phenylmethyl]-1,2,4-oxadiazole (CID 102563402) is 3-[6-(4-fluorophenoxy)-3-pyridinyl]-5-[(4-methylpiperazin-1-yl)-phenylmethyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-[6-(4-fluorophenoxy)-3-pyridinyl]-5-[(4-methylpiperazin-1-yl)-phenylmethyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-[6-(4-fluorophenoxy)-3-pyridinyl]-5-[(4-methylpiperazin-1-yl)-phenylmethyl]-1,2,4-oxadiazole is CN1CCN(C(c2ccccc2)c2nc(-c3ccc(Oc4ccc(F)cc4)nc3)no2)CC1.
What is the InChIKey of 3-[6-(4-fluorophenoxy)-3-pyridinyl]-5-[(4-methylpiperazin-1-yl)-phenylmethyl]-1,2,4-oxadiazole?
The InChIKey is FCYXATCPXJCUSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN5O2/c1-30-13-15-31(16-14-30)23(18-5-3-2-4-6-18)25-28-24(29-33-25)19-7-12-22(27-17-19)32-21-10-8-20(26)9-11-21/h2-12,17,23H,13-16H2,1H3.
What are the key properties of 3-[6-(4-fluorophenoxy)-3-pyridinyl]-5-[(4-methylpiperazin-1-yl)-phenylmethyl]-1,2,4-oxadiazole?
3-[6-(4-fluorophenoxy)-3-pyridinyl]-5-[(4-methylpiperazin-1-yl)-phenylmethyl]-1,2,4-oxadiazole has a molecular weight of 445.50 g/mol, XLogP of 4.40, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(4-fluorophenoxy)-3-pyridinyl]-5-[(4-methylpiperazin-1-yl)-phenylmethyl]-1,2,4-oxadiazole is sourced from PubChem (CID 102563402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).