5-(4-fluorophenyl)-3-[[4-(3-methylphenyl)piperazin-1-yl]methyl]-1,3,4-oxadiazol-2-one

C20H21FN4O2 — CID 17434854

IUPAC5-(4-fluorophenyl)-3-[[4-(3-methylphenyl)piperazin-1-yl]methyl]-1,3,4-oxadiazol-2-one
SMILESCc1cccc(N2CCN(Cn3nc(-c4ccc(F)cc4)oc3=O)CC2)c1
InChIInChI=1S/C20H21FN4O2/c1-15-3-2-4-18(13-15)24-11-9-23(10-12-24)14-25-20(26)27-19(22-25)16-5-7-17(21)8-6-16/h2-8,13H,9-12,14H2,1H3
InChIKeyFHZXXAZPWOPXNN-UHFFFAOYSA-N
MW368.41 g/mol
LogP2.73
Rot. Bonds4

About 5-(4-fluorophenyl)-3-[[4-(3-methylphenyl)piperazin-1-yl]methyl]-1,3,4-oxadiazol-2-one

5-(4-fluorophenyl)-3-[[4-(3-methylphenyl)piperazin-1-yl]methyl]-1,3,4-oxadiazol-2-one (PubChem CID 17434854) has the molecular formula C20H21FN4O2 and a molecular weight of 368.41 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-3-[[4-(3-methylphenyl)piperazin-1-yl]methyl]-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name5-(4-fluorophenyl)-3-[[4-(3-methylphenyl)piperazin-1-yl]methyl]-1,3,4-oxadiazol-2-one
PubChem CID17434854
Molecular FormulaC20H21FN4O2
Molecular Weight368.41 g/mol
Exact Mass368.16
IUPAC Name5-(4-fluorophenyl)-3-[[4-(3-methylphenyl)piperazin-1-yl]methyl]-1,3,4-oxadiazol-2-one
SMILESCc1cccc(N2CCN(Cn3nc(-c4ccc(F)cc4)oc3=O)CC2)c1
InChIInChI=1S/C20H21FN4O2/c1-15-3-2-4-18(13-15)24-11-9-23(10-12-24)14-25-20(26)27-19(22-25)16-5-7-17(21)8-6-16/h2-8,13H,9-12,14H2,1H3
InChIKeyFHZXXAZPWOPXNN-UHFFFAOYSA-N
XLogP2.73
TPSA54.51 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-3-[[4-(3-methylphenyl)piperazin-1-yl]methyl]-1,3,4-oxadiazol-2-one?
The IUPAC name of 5-(4-fluorophenyl)-3-[[4-(3-methylphenyl)piperazin-1-yl]methyl]-1,3,4-oxadiazol-2-one (CID 17434854) is 5-(4-fluorophenyl)-3-[[4-(3-methylphenyl)piperazin-1-yl]methyl]-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 5-(4-fluorophenyl)-3-[[4-(3-methylphenyl)piperazin-1-yl]methyl]-1,3,4-oxadiazol-2-one?
The canonical SMILES for 5-(4-fluorophenyl)-3-[[4-(3-methylphenyl)piperazin-1-yl]methyl]-1,3,4-oxadiazol-2-one is Cc1cccc(N2CCN(Cn3nc(-c4ccc(F)cc4)oc3=O)CC2)c1.
What is the InChIKey of 5-(4-fluorophenyl)-3-[[4-(3-methylphenyl)piperazin-1-yl]methyl]-1,3,4-oxadiazol-2-one?
The InChIKey is FHZXXAZPWOPXNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O2/c1-15-3-2-4-18(13-15)24-11-9-23(10-12-24)14-25-20(26)27-19(22-25)16-5-7-17(21)8-6-16/h2-8,13H,9-12,14H2,1H3.
What are the key properties of 5-(4-fluorophenyl)-3-[[4-(3-methylphenyl)piperazin-1-yl]methyl]-1,3,4-oxadiazol-2-one?
5-(4-fluorophenyl)-3-[[4-(3-methylphenyl)piperazin-1-yl]methyl]-1,3,4-oxadiazol-2-one has a molecular weight of 368.41 g/mol, XLogP of 2.73, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-3-[[4-(3-methylphenyl)piperazin-1-yl]methyl]-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 17434854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).