N-[(4-fluorophenyl)methyl]-3-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidine-1-carboxamide

C25H21FN4O3 — CID 91905462

IUPACN-[(4-fluorophenyl)methyl]-3-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidine-1-carboxamide
SMILESO=C(NCc1ccc(F)cc1)N1CC(Oc2ccc(-c3nc(-c4ccccc4)no3)cc2)C1
InChIInChI=1S/C25H21FN4O3/c26-20-10-6-17(7-11-20)14-27-25(31)30-15-22(16-30)32-21-12-8-19(9-13-21)24-28-23(29-33-24)18-4-2-1-3-5-18/h1-13,22H,14-16H2,(H,27,31)
InChIKeyWRUTUDFYWNKCGV-UHFFFAOYSA-N
MW444.47 g/mol
LogP4.52
Rot. Bonds6

About N-[(4-fluorophenyl)methyl]-3-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidine-1-carboxamide

N-[(4-fluorophenyl)methyl]-3-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidine-1-carboxamide (PubChem CID 91905462) has the molecular formula C25H21FN4O3 and a molecular weight of 444.47 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-3-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidine-1-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-3-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidine-1-carboxamide
PubChem CID91905462
Molecular FormulaC25H21FN4O3
Molecular Weight444.47 g/mol
Exact Mass444.16
IUPAC NameN-[(4-fluorophenyl)methyl]-3-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidine-1-carboxamide
SMILESO=C(NCc1ccc(F)cc1)N1CC(Oc2ccc(-c3nc(-c4ccccc4)no3)cc2)C1
InChIInChI=1S/C25H21FN4O3/c26-20-10-6-17(7-11-20)14-27-25(31)30-15-22(16-30)32-21-12-8-19(9-13-21)24-28-23(29-33-24)18-4-2-1-3-5-18/h1-13,22H,14-16H2,(H,27,31)
InChIKeyWRUTUDFYWNKCGV-UHFFFAOYSA-N
XLogP4.52
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.47
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-3-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidine-1-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-3-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidine-1-carboxamide (CID 91905462) is N-[(4-fluorophenyl)methyl]-3-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidine-1-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-3-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidine-1-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-3-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidine-1-carboxamide is O=C(NCc1ccc(F)cc1)N1CC(Oc2ccc(-c3nc(-c4ccccc4)no3)cc2)C1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-3-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidine-1-carboxamide?
The InChIKey is WRUTUDFYWNKCGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21FN4O3/c26-20-10-6-17(7-11-20)14-27-25(31)30-15-22(16-30)32-21-12-8-19(9-13-21)24-28-23(29-33-24)18-4-2-1-3-5-18/h1-13,22H,14-16H2,(H,27,31).
What are the key properties of N-[(4-fluorophenyl)methyl]-3-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidine-1-carboxamide?
N-[(4-fluorophenyl)methyl]-3-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidine-1-carboxamide has a molecular weight of 444.47 g/mol, XLogP of 4.52, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-3-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidine-1-carboxamide is sourced from PubChem (CID 91905462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).