4-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-N-(3-fluoro-4-methylphenyl)piperazine-1-carboxamide

C23H24FN5O2 — CID 50780460

IUPAC4-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-N-(3-fluoro-4-methylphenyl)piperazine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCN(c3ccc(-c4noc(C5CC5)n4)cc3)CC2)cc1F
InChIInChI=1S/C23H24FN5O2/c1-15-2-7-18(14-20(15)24)25-23(30)29-12-10-28(11-13-29)19-8-5-16(6-9-19)21-26-22(31-27-21)17-3-4-17/h2,5-9,14,17H,3-4,10-13H2,1H3,(H,25,30)
InChIKeyYBGPFFLIFFVIOR-UHFFFAOYSA-N
MW421.48 g/mol
LogP4.42
Rot. Bonds4

About 4-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-N-(3-fluoro-4-methylphenyl)piperazine-1-carboxamide

4-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-N-(3-fluoro-4-methylphenyl)piperazine-1-carboxamide (PubChem CID 50780460) has the molecular formula C23H24FN5O2 and a molecular weight of 421.48 g/mol. Its IUPAC name is 4-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-N-(3-fluoro-4-methylphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-N-(3-fluoro-4-methylphenyl)piperazine-1-carboxamide
PubChem CID50780460
Molecular FormulaC23H24FN5O2
Molecular Weight421.48 g/mol
Exact Mass421.19
IUPAC Name4-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-N-(3-fluoro-4-methylphenyl)piperazine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCN(c3ccc(-c4noc(C5CC5)n4)cc3)CC2)cc1F
InChIInChI=1S/C23H24FN5O2/c1-15-2-7-18(14-20(15)24)25-23(30)29-12-10-28(11-13-29)19-8-5-16(6-9-19)21-26-22(31-27-21)17-3-4-17/h2,5-9,14,17H,3-4,10-13H2,1H3,(H,25,30)
InChIKeyYBGPFFLIFFVIOR-UHFFFAOYSA-N
XLogP4.42
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.48
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-N-(2,3-dimethylphenyl)piperazine-1-carboxamide
CID 50780218
1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)benzoyl]-N-(3-fluoro-4-methylphenyl)piperidine-4-carboxamide
CID 50767376
methyl 4-[[4-[4-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)phenyl]piperazine-1-carbonyl]amino]benzoate
CID 50780223
N-(4-fluorophenyl)-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 50769479
N-(3,4-dimethylphenyl)-4-[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenyl]piperazine-1-carboxamide
CID 50780259
N-(3,5-dimethylphenyl)-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 50769376
(3R)-3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3,4-dimethylphenyl)piperidine-1-carboxamide
CID 7283792
[4-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]-(3,4-difluorophenyl)methanone
CID 53033594
[4-(4-chlorophenyl)piperazin-1-yl]-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]methanone
CID 50767501
methyl 2-[[4-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]piperazine-1-carbonyl]amino]benzoate
CID 46323958
4-[4-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)phenyl]-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 46323974
4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2,5-dimethylphenyl)piperidine-1-carboxamide
CID 50769457

Frequently Asked Questions

What is the IUPAC name of 4-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-N-(3-fluoro-4-methylphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-N-(3-fluoro-4-methylphenyl)piperazine-1-carboxamide (CID 50780460) is 4-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-N-(3-fluoro-4-methylphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-N-(3-fluoro-4-methylphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-N-(3-fluoro-4-methylphenyl)piperazine-1-carboxamide is Cc1ccc(NC(=O)N2CCN(c3ccc(-c4noc(C5CC5)n4)cc3)CC2)cc1F.
What is the InChIKey of 4-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-N-(3-fluoro-4-methylphenyl)piperazine-1-carboxamide?
The InChIKey is YBGPFFLIFFVIOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN5O2/c1-15-2-7-18(14-20(15)24)25-23(30)29-12-10-28(11-13-29)19-8-5-16(6-9-19)21-26-22(31-27-21)17-3-4-17/h2,5-9,14,17H,3-4,10-13H2,1H3,(H,25,30).
What are the key properties of 4-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-N-(3-fluoro-4-methylphenyl)piperazine-1-carboxamide?
4-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-N-(3-fluoro-4-methylphenyl)piperazine-1-carboxamide has a molecular weight of 421.48 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-N-(3-fluoro-4-methylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 50780460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).