N-[4-(3-fluorophenoxy)phenyl]-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide

C23H18FN3O4 — CID 55908467

IUPACN-[4-(3-fluorophenoxy)phenyl]-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
SMILESCc1nc(COc2ccc(C(=O)Nc3ccc(Oc4cccc(F)c4)cc3)cc2)no1
InChIInChI=1S/C23H18FN3O4/c1-15-25-22(27-31-15)14-29-19-9-5-16(6-10-19)23(28)26-18-7-11-20(12-8-18)30-21-4-2-3-17(24)13-21/h2-13H,14H2,1H3,(H,26,28)
InChIKeyUQZNCXNJXVIGIA-UHFFFAOYSA-N
MW419.41 g/mol
LogP5.14
Rot. Bonds7

About N-[4-(3-fluorophenoxy)phenyl]-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide

N-[4-(3-fluorophenoxy)phenyl]-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide (PubChem CID 55908467) has the molecular formula C23H18FN3O4 and a molecular weight of 419.41 g/mol. Its IUPAC name is N-[4-(3-fluorophenoxy)phenyl]-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide.

Molecular Properties

Compound NameN-[4-(3-fluorophenoxy)phenyl]-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
PubChem CID55908467
Molecular FormulaC23H18FN3O4
Molecular Weight419.41 g/mol
Exact Mass419.13
IUPAC NameN-[4-(3-fluorophenoxy)phenyl]-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
SMILESCc1nc(COc2ccc(C(=O)Nc3ccc(Oc4cccc(F)c4)cc3)cc2)no1
InChIInChI=1S/C23H18FN3O4/c1-15-25-22(27-31-15)14-29-19-9-5-16(6-10-19)23(28)26-18-7-11-20(12-8-18)30-21-4-2-3-17(24)13-21/h2-13H,14H2,1H3,(H,26,28)
InChIKeyUQZNCXNJXVIGIA-UHFFFAOYSA-N
XLogP5.14
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.41
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-[4-(phenylcarbamoylamino)phenyl]benzamide
CID 38476918
N,N-diethyl-4-[[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]amino]benzamide
CID 32766350
N-[3-[[acetyl(methyl)amino]methyl]phenyl]-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 55654311
4-tert-butyl-N-[4-(3-fluorophenoxy)phenyl]benzamide
CID 142594929
N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 29367445
7-bromo-2-methyl-N-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-3H-benzimidazole-5-carboxamide
CID 166393949
N-ethyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 47137708
N-(4-fluorophenyl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 31301282
4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)benzamide
CID 46416378
N-(2-tert-butyl-1,3-benzoxazol-5-yl)-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 46401890
N-[4-(3-fluorophenoxy)phenyl]-4-methylsulfinylbenzamide
CID 55978837
N-(2,5-dimethoxyphenyl)-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 51309899

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-fluorophenoxy)phenyl]-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide?
The IUPAC name of N-[4-(3-fluorophenoxy)phenyl]-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide (CID 55908467) is N-[4-(3-fluorophenoxy)phenyl]-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide.
What is the SMILES notation for N-[4-(3-fluorophenoxy)phenyl]-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide?
The canonical SMILES for N-[4-(3-fluorophenoxy)phenyl]-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide is Cc1nc(COc2ccc(C(=O)Nc3ccc(Oc4cccc(F)c4)cc3)cc2)no1.
What is the InChIKey of N-[4-(3-fluorophenoxy)phenyl]-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide?
The InChIKey is UQZNCXNJXVIGIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN3O4/c1-15-25-22(27-31-15)14-29-19-9-5-16(6-10-19)23(28)26-18-7-11-20(12-8-18)30-21-4-2-3-17(24)13-21/h2-13H,14H2,1H3,(H,26,28).
What are the key properties of N-[4-(3-fluorophenoxy)phenyl]-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide?
N-[4-(3-fluorophenoxy)phenyl]-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide has a molecular weight of 419.41 g/mol, XLogP of 5.14, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-fluorophenoxy)phenyl]-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide is sourced from PubChem (CID 55908467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).