3-phenyl-5-[(4-phenylpiperazin-1-yl)methyl]-1,2,4-oxadiazole

C19H20N4O — CID 892269

IUPAC3-phenyl-5-[(4-phenylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
SMILESc1ccc(-c2noc(CN3CCN(c4ccccc4)CC3)n2)cc1
InChIInChI=1S/C19H20N4O/c1-3-7-16(8-4-1)19-20-18(24-21-19)15-22-11-13-23(14-12-22)17-9-5-2-6-10-17/h1-10H,11-15H2
InChIKeyGJOUQOOUPAHVFP-UHFFFAOYSA-N
MW320.40 g/mol
LogP3.06
Rot. Bonds4

About 3-phenyl-5-[(4-phenylpiperazin-1-yl)methyl]-1,2,4-oxadiazole

3-phenyl-5-[(4-phenylpiperazin-1-yl)methyl]-1,2,4-oxadiazole (PubChem CID 892269) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is 3-phenyl-5-[(4-phenylpiperazin-1-yl)methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-phenyl-5-[(4-phenylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
PubChem CID892269
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC Name3-phenyl-5-[(4-phenylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
SMILESc1ccc(-c2noc(CN3CCN(c4ccccc4)CC3)n2)cc1
InChIInChI=1S/C19H20N4O/c1-3-7-16(8-4-1)19-20-18(24-21-19)15-22-11-13-23(14-12-22)17-9-5-2-6-10-17/h1-10H,11-15H2
InChIKeyGJOUQOOUPAHVFP-UHFFFAOYSA-N
XLogP3.06
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-{1-[(3-Benzyl-1,2,4-oxadiazol-5-yl)methyl]-2-piperidinyl}ethyl)pyridine
CID 16189946
(4-Fluorobenzyl)methyl[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]amine
CID 23723829
N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)aniline
CID 22493359
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-pentan-3-yl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]-2-phenylacetamide
CID 58055738
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-[4-[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)-phenylmethyl]piperazin-1-yl]-3-fluorophenyl]butanamide
CID 68873961
4-Benzyl-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine
CID 750953
N-{[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-N-phenylamine
CID 752359

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-5-[(4-phenylpiperazin-1-yl)methyl]-1,2,4-oxadiazole?
The IUPAC name of 3-phenyl-5-[(4-phenylpiperazin-1-yl)methyl]-1,2,4-oxadiazole (CID 892269) is 3-phenyl-5-[(4-phenylpiperazin-1-yl)methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-phenyl-5-[(4-phenylpiperazin-1-yl)methyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-phenyl-5-[(4-phenylpiperazin-1-yl)methyl]-1,2,4-oxadiazole is c1ccc(-c2noc(CN3CCN(c4ccccc4)CC3)n2)cc1.
What is the InChIKey of 3-phenyl-5-[(4-phenylpiperazin-1-yl)methyl]-1,2,4-oxadiazole?
The InChIKey is GJOUQOOUPAHVFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O/c1-3-7-16(8-4-1)19-20-18(24-21-19)15-22-11-13-23(14-12-22)17-9-5-2-6-10-17/h1-10H,11-15H2.
What are the key properties of 3-phenyl-5-[(4-phenylpiperazin-1-yl)methyl]-1,2,4-oxadiazole?
3-phenyl-5-[(4-phenylpiperazin-1-yl)methyl]-1,2,4-oxadiazole has a molecular weight of 320.40 g/mol, XLogP of 3.06, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-5-[(4-phenylpiperazin-1-yl)methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 892269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).