[2-(4-fluorophenyl)-6-phenylmorpholin-4-yl]-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)methanone

C24H19FN4O3 — CID 167913582

IUPAC[2-(4-fluorophenyl)-6-phenylmorpholin-4-yl]-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)methanone
SMILESO=C(c1nnc(-c2ccncc2)o1)N1CC(c2ccccc2)OC(c2ccc(F)cc2)C1
InChIInChI=1S/C24H19FN4O3/c25-19-8-6-17(7-9-19)21-15-29(14-20(31-21)16-4-2-1-3-5-16)24(30)23-28-27-22(32-23)18-10-12-26-13-11-18/h1-13,20-21H,14-15H2
InChIKeyPELXQKRMVBFNEZ-UHFFFAOYSA-N
MW430.44 g/mol
LogP4.23
Rot. Bonds4

About [2-(4-fluorophenyl)-6-phenylmorpholin-4-yl]-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)methanone

[2-(4-fluorophenyl)-6-phenylmorpholin-4-yl]-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)methanone (PubChem CID 167913582) has the molecular formula C24H19FN4O3 and a molecular weight of 430.44 g/mol. Its IUPAC name is [2-(4-fluorophenyl)-6-phenylmorpholin-4-yl]-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)methanone.

Molecular Properties

Compound Name[2-(4-fluorophenyl)-6-phenylmorpholin-4-yl]-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)methanone
PubChem CID167913582
Molecular FormulaC24H19FN4O3
Molecular Weight430.44 g/mol
Exact Mass430.14
IUPAC Name[2-(4-fluorophenyl)-6-phenylmorpholin-4-yl]-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)methanone
SMILESO=C(c1nnc(-c2ccncc2)o1)N1CC(c2ccccc2)OC(c2ccc(F)cc2)C1
InChIInChI=1S/C24H19FN4O3/c25-19-8-6-17(7-9-19)21-15-29(14-20(31-21)16-4-2-1-3-5-16)24(30)23-28-27-22(32-23)18-10-12-26-13-11-18/h1-13,20-21H,14-15H2
InChIKeyPELXQKRMVBFNEZ-UHFFFAOYSA-N
XLogP4.23
TPSA81.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.44
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(4-fluorophenyl)-6-phenylmorpholin-4-yl]-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)methanone?
The IUPAC name of [2-(4-fluorophenyl)-6-phenylmorpholin-4-yl]-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)methanone (CID 167913582) is [2-(4-fluorophenyl)-6-phenylmorpholin-4-yl]-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)methanone.
What is the SMILES notation for [2-(4-fluorophenyl)-6-phenylmorpholin-4-yl]-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)methanone?
The canonical SMILES for [2-(4-fluorophenyl)-6-phenylmorpholin-4-yl]-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)methanone is O=C(c1nnc(-c2ccncc2)o1)N1CC(c2ccccc2)OC(c2ccc(F)cc2)C1.
What is the InChIKey of [2-(4-fluorophenyl)-6-phenylmorpholin-4-yl]-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)methanone?
The InChIKey is PELXQKRMVBFNEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN4O3/c25-19-8-6-17(7-9-19)21-15-29(14-20(31-21)16-4-2-1-3-5-16)24(30)23-28-27-22(32-23)18-10-12-26-13-11-18/h1-13,20-21H,14-15H2.
What are the key properties of [2-(4-fluorophenyl)-6-phenylmorpholin-4-yl]-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)methanone?
[2-(4-fluorophenyl)-6-phenylmorpholin-4-yl]-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)methanone has a molecular weight of 430.44 g/mol, XLogP of 4.23, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluorophenyl)-6-phenylmorpholin-4-yl]-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)methanone is sourced from PubChem (CID 167913582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).