N,N-diethyl-2-[4-[2-fluoro-4-(5-pentan-3-yl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]-2-phenylacetamide

C29H38FN5O2 — CID 58055738

IUPACN,N-diethyl-2-[4-[2-fluoro-4-(5-pentan-3-yl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]-2-phenylacetamide
SMILESCCC(CC)c1nc(-c2ccc(N3CCN(C(C(=O)N(CC)CC)c4ccccc4)CC3)c(F)c2)no1
InChIInChI=1S/C29H38FN5O2/c1-5-21(6-2)28-31-27(32-37-28)23-14-15-25(24(30)20-23)34-16-18-35(19-17-34)26(22-12-10-9-11-13-22)29(36)33(7-3)8-4/h9-15,20-21,26H,5-8,16-19H2,1-4H3
InChIKeyHYZITMLDKVZQPY-UHFFFAOYSA-N
MW507.65 g/mol
LogP5.51
Rot. Bonds10

About N,N-diethyl-2-[4-[2-fluoro-4-(5-pentan-3-yl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]-2-phenylacetamide

N,N-diethyl-2-[4-[2-fluoro-4-(5-pentan-3-yl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]-2-phenylacetamide (PubChem CID 58055738) has the molecular formula C29H38FN5O2 and a molecular weight of 507.65 g/mol. Its IUPAC name is N,N-diethyl-2-[4-[2-fluoro-4-(5-pentan-3-yl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]-2-phenylacetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[4-[2-fluoro-4-(5-pentan-3-yl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]-2-phenylacetamide
PubChem CID58055738
Molecular FormulaC29H38FN5O2
Molecular Weight507.65 g/mol
Exact Mass507.30
IUPAC NameN,N-diethyl-2-[4-[2-fluoro-4-(5-pentan-3-yl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]-2-phenylacetamide
SMILESCCC(CC)c1nc(-c2ccc(N3CCN(C(C(=O)N(CC)CC)c4ccccc4)CC3)c(F)c2)no1
InChIInChI=1S/C29H38FN5O2/c1-5-21(6-2)28-31-27(32-37-28)23-14-15-25(24(30)20-23)34-16-18-35(19-17-34)26(22-12-10-9-11-13-22)29(36)33(7-3)8-4/h9-15,20-21,26H,5-8,16-19H2,1-4H3
InChIKeyHYZITMLDKVZQPY-UHFFFAOYSA-N
XLogP5.51
TPSA65.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.65
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[5-[[1-[(3-fluoro-2-methylphenyl)methyl]piperidin-3-yl]methyl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide
CID 91800660
N,N-Diethyl-2-{4-[4-(5-ethyl-[1,2,4]oxadiazol-3-yl)-2-fluoro-phenyl]-piperazin-1-yl}-2-phenyl-acetamide
CID 42647046
2-[4-[4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-2-fluorophenyl]piperazin-1-yl]-N,N-diethyl-2-phenylacetamide
CID 58055717
N,N-diethyl-2-[4-[2-fluoro-4-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]piperazin-1-yl]-2-phenylacetamide
CID 58055719
N,N-Diethyl-2-{4-[2-fluoro-4-(3-methyl-[1,2,4]oxadiazol-5-yl)-phenyl]-piperazin-1-yl}-2-phenyl-acetamide
CID 58055741
N,N-diethyl-2-[4-[2-fluoro-4-(3-methyl-1,2,4-thiadiazol-5-yl)phenyl]piperazin-1-yl]-2-phenylacetamide
CID 58055756
N,N-diethyl-2-[4-[2-fluoro-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]piperazin-1-yl]-2-phenylacetamide
CID 58055758
2-[4-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-fluorophenyl]piperazin-1-yl]-N,N-diethyl-2-phenylacetamide
CID 58055759
N,N-diethyl-2-[4-[2-fluoro-4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]-2-phenylacetamide
CID 58055771
N,N-diethyl-2-[4-[2-fluoro-4-[5-(fluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]piperazin-1-yl]-2-phenylacetamide
CID 58055782
2-ethyl-N-[3-fluoro-4-[4-[phenyl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]phenyl]butanamide
CID 67678347
2-ethyl-N-[4-[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)-phenylmethyl]piperazin-1-yl]-3-fluorophenyl]butanamide
CID 68873961

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[4-[2-fluoro-4-(5-pentan-3-yl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]-2-phenylacetamide?
The IUPAC name of N,N-diethyl-2-[4-[2-fluoro-4-(5-pentan-3-yl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]-2-phenylacetamide (CID 58055738) is N,N-diethyl-2-[4-[2-fluoro-4-(5-pentan-3-yl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]-2-phenylacetamide.
What is the SMILES notation for N,N-diethyl-2-[4-[2-fluoro-4-(5-pentan-3-yl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]-2-phenylacetamide?
The canonical SMILES for N,N-diethyl-2-[4-[2-fluoro-4-(5-pentan-3-yl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]-2-phenylacetamide is CCC(CC)c1nc(-c2ccc(N3CCN(C(C(=O)N(CC)CC)c4ccccc4)CC3)c(F)c2)no1.
What is the InChIKey of N,N-diethyl-2-[4-[2-fluoro-4-(5-pentan-3-yl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]-2-phenylacetamide?
The InChIKey is HYZITMLDKVZQPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H38FN5O2/c1-5-21(6-2)28-31-27(32-37-28)23-14-15-25(24(30)20-23)34-16-18-35(19-17-34)26(22-12-10-9-11-13-22)29(36)33(7-3)8-4/h9-15,20-21,26H,5-8,16-19H2,1-4H3.
What are the key properties of N,N-diethyl-2-[4-[2-fluoro-4-(5-pentan-3-yl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]-2-phenylacetamide?
N,N-diethyl-2-[4-[2-fluoro-4-(5-pentan-3-yl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]-2-phenylacetamide has a molecular weight of 507.65 g/mol, XLogP of 5.51, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[4-[2-fluoro-4-(5-pentan-3-yl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]-2-phenylacetamide is sourced from PubChem (CID 58055738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).