N-[3-[3-acetyl-5-(4-fluorophenyl)-2H-1,3,4-oxadiazol-2-yl]phenyl]-4-methylbenzamide

C24H20FN3O3 — CID 53020463

IUPACN-[3-[3-acetyl-5-(4-fluorophenyl)-2H-1,3,4-oxadiazol-2-yl]phenyl]-4-methylbenzamide
SMILESCC(=O)N1N=C(c2ccc(F)cc2)OC1c1cccc(NC(=O)c2ccc(C)cc2)c1
InChIInChI=1S/C24H20FN3O3/c1-15-6-8-17(9-7-15)22(30)26-21-5-3-4-19(14-21)24-28(16(2)29)27-23(31-24)18-10-12-20(25)13-11-18/h3-14,24H,1-2H3,(H,26,30)
InChIKeyMSQVNNJKFKONOY-UHFFFAOYSA-N
MW417.44 g/mol
LogP4.63
Rot. Bonds4

About N-[3-[3-acetyl-5-(4-fluorophenyl)-2H-1,3,4-oxadiazol-2-yl]phenyl]-4-methylbenzamide

N-[3-[3-acetyl-5-(4-fluorophenyl)-2H-1,3,4-oxadiazol-2-yl]phenyl]-4-methylbenzamide (PubChem CID 53020463) has the molecular formula C24H20FN3O3 and a molecular weight of 417.44 g/mol. Its IUPAC name is N-[3-[3-acetyl-5-(4-fluorophenyl)-2H-1,3,4-oxadiazol-2-yl]phenyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[3-[3-acetyl-5-(4-fluorophenyl)-2H-1,3,4-oxadiazol-2-yl]phenyl]-4-methylbenzamide
PubChem CID53020463
Molecular FormulaC24H20FN3O3
Molecular Weight417.44 g/mol
Exact Mass417.15
IUPAC NameN-[3-[3-acetyl-5-(4-fluorophenyl)-2H-1,3,4-oxadiazol-2-yl]phenyl]-4-methylbenzamide
SMILESCC(=O)N1N=C(c2ccc(F)cc2)OC1c1cccc(NC(=O)c2ccc(C)cc2)c1
InChIInChI=1S/C24H20FN3O3/c1-15-6-8-17(9-7-15)22(30)26-21-5-3-4-19(14-21)24-28(16(2)29)27-23(31-24)18-10-12-20(25)13-11-18/h3-14,24H,1-2H3,(H,26,30)
InChIKeyMSQVNNJKFKONOY-UHFFFAOYSA-N
XLogP4.63
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.44
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[3-acetyl-5-(4-fluorophenyl)-2H-1,3,4-oxadiazol-2-yl]phenyl]benzamide
CID 53020454
N-[3-[(2R)-3-acetyl-5-[4-(dimethylamino)phenyl]-2H-1,3,4-oxadiazol-2-yl]phenyl]-3-bromobenzamide
CID 95053171
N-[4-[(2S)-3-acetyl-5-(5-methylfuran-2-yl)-2H-1,3,4-oxadiazol-2-yl]phenyl]-4-methylbenzamide
CID 92713031
1-[(2R)-5-(4-methylphenyl)-2-pyridin-3-yl-2H-1,3,4-oxadiazol-3-yl]ethanone
CID 957388
[2-[3-acetyl-5-[4-[(4-methylbenzoyl)amino]phenyl]-2H-1,3,4-oxadiazol-2-yl]-4-methoxyphenyl] acetate
CID 46352200
[4-[(2S)-3-acetyl-2-(4-fluorophenyl)-2H-1,3,4-oxadiazol-5-yl]phenyl] acetate
CID 95053156
1-[5-(4-fluorophenyl)-2-pyridin-2-yl-2H-1,3,4-oxadiazol-3-yl]ethanone
CID 22576941
1-[(2R)-5-(4-fluorophenyl)-2-naphthalen-1-yl-2H-1,3,4-oxadiazol-3-yl]ethanone
CID 95053043
3-benzyl-N-(4-fluorophenyl)-5-[3-[(4-methylbenzoyl)amino]phenyl]-2-oxo-1,3-oxazolidine-4-carboxamide
CID 46021216
(4S,5R)-3-benzyl-N-(4-fluorophenyl)-5-[3-[(4-methylbenzoyl)amino]phenyl]-2-oxo-1,3-oxazolidine-4-carboxamide
CID 93202166
[2-[3-acetyl-2-[4-[(4-fluorobenzoyl)amino]phenyl]-2H-1,3,4-oxadiazol-5-yl]-4-nitrophenyl] acetate
CID 46352353
4-N-(3-fluorophenyl)-1-N-(4-methylphenyl)benzene-1,4-dicarboxamide
CID 109049444

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-acetyl-5-(4-fluorophenyl)-2H-1,3,4-oxadiazol-2-yl]phenyl]-4-methylbenzamide?
The IUPAC name of N-[3-[3-acetyl-5-(4-fluorophenyl)-2H-1,3,4-oxadiazol-2-yl]phenyl]-4-methylbenzamide (CID 53020463) is N-[3-[3-acetyl-5-(4-fluorophenyl)-2H-1,3,4-oxadiazol-2-yl]phenyl]-4-methylbenzamide.
What is the SMILES notation for N-[3-[3-acetyl-5-(4-fluorophenyl)-2H-1,3,4-oxadiazol-2-yl]phenyl]-4-methylbenzamide?
The canonical SMILES for N-[3-[3-acetyl-5-(4-fluorophenyl)-2H-1,3,4-oxadiazol-2-yl]phenyl]-4-methylbenzamide is CC(=O)N1N=C(c2ccc(F)cc2)OC1c1cccc(NC(=O)c2ccc(C)cc2)c1.
What is the InChIKey of N-[3-[3-acetyl-5-(4-fluorophenyl)-2H-1,3,4-oxadiazol-2-yl]phenyl]-4-methylbenzamide?
The InChIKey is MSQVNNJKFKONOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN3O3/c1-15-6-8-17(9-7-15)22(30)26-21-5-3-4-19(14-21)24-28(16(2)29)27-23(31-24)18-10-12-20(25)13-11-18/h3-14,24H,1-2H3,(H,26,30).
What are the key properties of N-[3-[3-acetyl-5-(4-fluorophenyl)-2H-1,3,4-oxadiazol-2-yl]phenyl]-4-methylbenzamide?
N-[3-[3-acetyl-5-(4-fluorophenyl)-2H-1,3,4-oxadiazol-2-yl]phenyl]-4-methylbenzamide has a molecular weight of 417.44 g/mol, XLogP of 4.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-acetyl-5-(4-fluorophenyl)-2H-1,3,4-oxadiazol-2-yl]phenyl]-4-methylbenzamide is sourced from PubChem (CID 53020463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).