N-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-pyridin-4-ylbenzamide

C23H20N4O2 — CID 25211295

IUPACN-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-pyridin-4-ylbenzamide
SMILESCc1ccc(-c2noc(C(C)NC(=O)c3ccc(-c4ccncc4)cc3)n2)cc1
InChIInChI=1S/C23H20N4O2/c1-15-3-5-19(6-4-15)21-26-23(29-27-21)16(2)25-22(28)20-9-7-17(8-10-20)18-11-13-24-14-12-18/h3-14,16H,1-2H3,(H,25,28)
InChIKeyVUCMGYQZYJECGF-UHFFFAOYSA-N
MW384.44 g/mol
LogP4.60
Rot. Bonds5

About N-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-pyridin-4-ylbenzamide

N-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-pyridin-4-ylbenzamide (PubChem CID 25211295) has the molecular formula C23H20N4O2 and a molecular weight of 384.44 g/mol. Its IUPAC name is N-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-pyridin-4-ylbenzamide.

Molecular Properties

Compound NameN-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-pyridin-4-ylbenzamide
PubChem CID25211295
Molecular FormulaC23H20N4O2
Molecular Weight384.44 g/mol
Exact Mass384.16
IUPAC NameN-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-pyridin-4-ylbenzamide
SMILESCc1ccc(-c2noc(C(C)NC(=O)c3ccc(-c4ccncc4)cc3)n2)cc1
InChIInChI=1S/C23H20N4O2/c1-15-3-5-19(6-4-15)21-26-23(29-27-21)16(2)25-22(28)20-9-7-17(8-10-20)18-11-13-24-14-12-18/h3-14,16H,1-2H3,(H,25,28)
InChIKeyVUCMGYQZYJECGF-UHFFFAOYSA-N
XLogP4.60
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-(trifluoromethyl)benzamide
CID 83288684
4-fluoro-N-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 17101349
N-[(1S)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyridine-4-carboxamide
CID 92717337
N-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pentanamide
CID 17101346
N-[2-methyl-1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propyl]benzamide
CID 83288740
N-[1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 131932437
N-[1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 17101424
N-[(1S)-1-[3-[2-(trifluoromethyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]pyridine-4-carboxamide
CID 166519106
N-[(1S)-1-[3-[4-[(4-methylphenyl)sulfonylamino]phenyl]-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 92728786
3-methyl-N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 17101235
N-propan-2-yl-4-pyridin-4-ylbenzamide
CID 18337148
N-[1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-3-methylbutyl]-4-methylbenzamide
CID 51064975

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-pyridin-4-ylbenzamide?
The IUPAC name of N-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-pyridin-4-ylbenzamide (CID 25211295) is N-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-pyridin-4-ylbenzamide.
What is the SMILES notation for N-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-pyridin-4-ylbenzamide?
The canonical SMILES for N-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-pyridin-4-ylbenzamide is Cc1ccc(-c2noc(C(C)NC(=O)c3ccc(-c4ccncc4)cc3)n2)cc1.
What is the InChIKey of N-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-pyridin-4-ylbenzamide?
The InChIKey is VUCMGYQZYJECGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O2/c1-15-3-5-19(6-4-15)21-26-23(29-27-21)16(2)25-22(28)20-9-7-17(8-10-20)18-11-13-24-14-12-18/h3-14,16H,1-2H3,(H,25,28).
What are the key properties of N-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-pyridin-4-ylbenzamide?
N-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-pyridin-4-ylbenzamide has a molecular weight of 384.44 g/mol, XLogP of 4.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-pyridin-4-ylbenzamide is sourced from PubChem (CID 25211295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).