N-[(E)-1-[2-(4-fluorophenyl)-2-methyl-5-pyridin-4-yl-1,3,4-oxadiazol-3-yl]ethylideneamino]-4-methoxybenzamide

C24H22FN5O3 — CID 146000461

IUPACN-[(E)-1-[2-(4-fluorophenyl)-2-methyl-5-pyridin-4-yl-1,3,4-oxadiazol-3-yl]ethylideneamino]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)N/N=C(\C)N2N=C(c3ccncc3)OC2(C)c2ccc(F)cc2)cc1
InChIInChI=1S/C24H22FN5O3/c1-16(27-28-22(31)17-4-10-21(32-3)11-5-17)30-24(2,19-6-8-20(25)9-7-19)33-23(29-30)18-12-14-26-15-13-18/h4-15H,1-3H3,(H,28,31)/b27-16+
InChIKeyDRHKWQRRNREPSC-JVWAILMASA-N
MW447.47 g/mol
LogP3.86
Rot. Bonds5

About N-[(E)-1-[2-(4-fluorophenyl)-2-methyl-5-pyridin-4-yl-1,3,4-oxadiazol-3-yl]ethylideneamino]-4-methoxybenzamide

N-[(E)-1-[2-(4-fluorophenyl)-2-methyl-5-pyridin-4-yl-1,3,4-oxadiazol-3-yl]ethylideneamino]-4-methoxybenzamide (PubChem CID 146000461) has the molecular formula C24H22FN5O3 and a molecular weight of 447.47 g/mol. Its IUPAC name is N-[(E)-1-[2-(4-fluorophenyl)-2-methyl-5-pyridin-4-yl-1,3,4-oxadiazol-3-yl]ethylideneamino]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[(E)-1-[2-(4-fluorophenyl)-2-methyl-5-pyridin-4-yl-1,3,4-oxadiazol-3-yl]ethylideneamino]-4-methoxybenzamide
PubChem CID146000461
Molecular FormulaC24H22FN5O3
Molecular Weight447.47 g/mol
Exact Mass447.17
IUPAC NameN-[(E)-1-[2-(4-fluorophenyl)-2-methyl-5-pyridin-4-yl-1,3,4-oxadiazol-3-yl]ethylideneamino]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)N/N=C(\C)N2N=C(c3ccncc3)OC2(C)c2ccc(F)cc2)cc1
InChIInChI=1S/C24H22FN5O3/c1-16(27-28-22(31)17-4-10-21(32-3)11-5-17)30-24(2,19-6-8-20(25)9-7-19)33-23(29-30)18-12-14-26-15-13-18/h4-15H,1-3H3,(H,28,31)/b27-16+
InChIKeyDRHKWQRRNREPSC-JVWAILMASA-N
XLogP3.86
TPSA88.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.47
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-[2-(4-fluorophenyl)-2-methyl-5-pyridin-4-yl-1,3,4-oxadiazol-3-yl]ethylideneamino]-4-methoxybenzamide?
The IUPAC name of N-[(E)-1-[2-(4-fluorophenyl)-2-methyl-5-pyridin-4-yl-1,3,4-oxadiazol-3-yl]ethylideneamino]-4-methoxybenzamide (CID 146000461) is N-[(E)-1-[2-(4-fluorophenyl)-2-methyl-5-pyridin-4-yl-1,3,4-oxadiazol-3-yl]ethylideneamino]-4-methoxybenzamide.
What is the SMILES notation for N-[(E)-1-[2-(4-fluorophenyl)-2-methyl-5-pyridin-4-yl-1,3,4-oxadiazol-3-yl]ethylideneamino]-4-methoxybenzamide?
The canonical SMILES for N-[(E)-1-[2-(4-fluorophenyl)-2-methyl-5-pyridin-4-yl-1,3,4-oxadiazol-3-yl]ethylideneamino]-4-methoxybenzamide is COc1ccc(C(=O)N/N=C(\C)N2N=C(c3ccncc3)OC2(C)c2ccc(F)cc2)cc1.
What is the InChIKey of N-[(E)-1-[2-(4-fluorophenyl)-2-methyl-5-pyridin-4-yl-1,3,4-oxadiazol-3-yl]ethylideneamino]-4-methoxybenzamide?
The InChIKey is DRHKWQRRNREPSC-JVWAILMASA-N. The full InChI is InChI=1S/C24H22FN5O3/c1-16(27-28-22(31)17-4-10-21(32-3)11-5-17)30-24(2,19-6-8-20(25)9-7-19)33-23(29-30)18-12-14-26-15-13-18/h4-15H,1-3H3,(H,28,31)/b27-16+.
What are the key properties of N-[(E)-1-[2-(4-fluorophenyl)-2-methyl-5-pyridin-4-yl-1,3,4-oxadiazol-3-yl]ethylideneamino]-4-methoxybenzamide?
N-[(E)-1-[2-(4-fluorophenyl)-2-methyl-5-pyridin-4-yl-1,3,4-oxadiazol-3-yl]ethylideneamino]-4-methoxybenzamide has a molecular weight of 447.47 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-[2-(4-fluorophenyl)-2-methyl-5-pyridin-4-yl-1,3,4-oxadiazol-3-yl]ethylideneamino]-4-methoxybenzamide is sourced from PubChem (CID 146000461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).