N-(4-fluorophenyl)-2-[methyl-[2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetyl]amino]acetamide

C19H17FN4O4 — CID 2561134

IUPACN-(4-fluorophenyl)-2-[methyl-[2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetyl]amino]acetamide
SMILESCN(CC(=O)Nc1ccc(F)cc1)C(=O)COc1ccc(-c2nnco2)cc1
InChIInChI=1S/C19H17FN4O4/c1-24(10-17(25)22-15-6-4-14(20)5-7-15)18(26)11-27-16-8-2-13(3-9-16)19-23-21-12-28-19/h2-9,12H,10-11H2,1H3,(H,22,25)
InChIKeyQRIUQMTYPFLTKI-UHFFFAOYSA-N
MW384.37 g/mol
LogP2.35
Rot. Bonds7

About N-(4-fluorophenyl)-2-[methyl-[2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetyl]amino]acetamide

N-(4-fluorophenyl)-2-[methyl-[2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetyl]amino]acetamide (PubChem CID 2561134) has the molecular formula C19H17FN4O4 and a molecular weight of 384.37 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[methyl-[2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetyl]amino]acetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[methyl-[2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetyl]amino]acetamide
PubChem CID2561134
Molecular FormulaC19H17FN4O4
Molecular Weight384.37 g/mol
Exact Mass384.12
IUPAC NameN-(4-fluorophenyl)-2-[methyl-[2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetyl]amino]acetamide
SMILESCN(CC(=O)Nc1ccc(F)cc1)C(=O)COc1ccc(-c2nnco2)cc1
InChIInChI=1S/C19H17FN4O4/c1-24(10-17(25)22-15-6-4-14(20)5-7-15)18(26)11-27-16-8-2-13(3-9-16)19-23-21-12-28-19/h2-9,12H,10-11H2,1H3,(H,22,25)
InChIKeyQRIUQMTYPFLTKI-UHFFFAOYSA-N
XLogP2.35
TPSA97.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.37
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[methyl-[2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetyl]amino]acetamide?
The IUPAC name of N-(4-fluorophenyl)-2-[methyl-[2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetyl]amino]acetamide (CID 2561134) is N-(4-fluorophenyl)-2-[methyl-[2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetyl]amino]acetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[methyl-[2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetyl]amino]acetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[methyl-[2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetyl]amino]acetamide is CN(CC(=O)Nc1ccc(F)cc1)C(=O)COc1ccc(-c2nnco2)cc1.
What is the InChIKey of N-(4-fluorophenyl)-2-[methyl-[2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetyl]amino]acetamide?
The InChIKey is QRIUQMTYPFLTKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O4/c1-24(10-17(25)22-15-6-4-14(20)5-7-15)18(26)11-27-16-8-2-13(3-9-16)19-23-21-12-28-19/h2-9,12H,10-11H2,1H3,(H,22,25).
What are the key properties of N-(4-fluorophenyl)-2-[methyl-[2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetyl]amino]acetamide?
N-(4-fluorophenyl)-2-[methyl-[2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetyl]amino]acetamide has a molecular weight of 384.37 g/mol, XLogP of 2.35, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[methyl-[2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetyl]amino]acetamide is sourced from PubChem (CID 2561134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).