3-[[4-(2-amino-2-oxoethyl)phenoxy]methyl]-N-[(3-fluorophenyl)methyl]-1,2,4-oxadiazole-5-carboxamide

C19H17FN4O4 — CID 29130987

IUPAC3-[[4-(2-amino-2-oxoethyl)phenoxy]methyl]-N-[(3-fluorophenyl)methyl]-1,2,4-oxadiazole-5-carboxamide
SMILESNC(=O)Cc1ccc(OCc2noc(C(=O)NCc3cccc(F)c3)n2)cc1
InChIInChI=1S/C19H17FN4O4/c20-14-3-1-2-13(8-14)10-22-18(26)19-23-17(24-28-19)11-27-15-6-4-12(5-7-15)9-16(21)25/h1-8H,9-11H2,(H2,21,25)(H,22,26)
InChIKeyKHZJSSLELABNSF-UHFFFAOYSA-N
MW384.37 g/mol
LogP1.75
Rot. Bonds8

About 3-[[4-(2-amino-2-oxoethyl)phenoxy]methyl]-N-[(3-fluorophenyl)methyl]-1,2,4-oxadiazole-5-carboxamide

3-[[4-(2-amino-2-oxoethyl)phenoxy]methyl]-N-[(3-fluorophenyl)methyl]-1,2,4-oxadiazole-5-carboxamide (PubChem CID 29130987) has the molecular formula C19H17FN4O4 and a molecular weight of 384.37 g/mol. Its IUPAC name is 3-[[4-(2-amino-2-oxoethyl)phenoxy]methyl]-N-[(3-fluorophenyl)methyl]-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound Name3-[[4-(2-amino-2-oxoethyl)phenoxy]methyl]-N-[(3-fluorophenyl)methyl]-1,2,4-oxadiazole-5-carboxamide
PubChem CID29130987
Molecular FormulaC19H17FN4O4
Molecular Weight384.37 g/mol
Exact Mass384.12
IUPAC Name3-[[4-(2-amino-2-oxoethyl)phenoxy]methyl]-N-[(3-fluorophenyl)methyl]-1,2,4-oxadiazole-5-carboxamide
SMILESNC(=O)Cc1ccc(OCc2noc(C(=O)NCc3cccc(F)c3)n2)cc1
InChIInChI=1S/C19H17FN4O4/c20-14-3-1-2-13(8-14)10-22-18(26)19-23-17(24-28-19)11-27-15-6-4-12(5-7-15)9-16(21)25/h1-8H,9-11H2,(H2,21,25)(H,22,26)
InChIKeyKHZJSSLELABNSF-UHFFFAOYSA-N
XLogP1.75
TPSA120.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.37
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[[4-(2-amino-2-oxoethyl)phenoxy]methyl]-N-[(3-fluorophenyl)methyl]-1,2,4-oxadiazole-5-carboxamide with MolForge

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Related Compounds

3-[[4-(2-amino-2-oxoethyl)phenoxy]methyl]-N-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazole-5-carboxamide
CID 29127360
N-[(3-fluorophenyl)methyl]-3-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxymethyl]-1,2,4-oxadiazole-5-carboxamide
CID 29135593
3-(2-anilino-2-oxoethyl)-N-[(3-fluorophenyl)methyl]-1,2,4-oxadiazole-5-carboxamide
CID 39332959
3-[[4-(2-amino-2-oxoethyl)phenoxy]methyl]-N-[[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-1,2,4-oxadiazole-5-carboxamide
CID 98223366
N-[(3-fluorophenyl)methyl]-3-[(3-nitropyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide
CID 5299779
2-[4-[(4-fluorophenyl)methoxy]phenyl]-N-[(3-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide
CID 46065670
N-[(3-chlorophenyl)methyl]-3-[(4-methyl-2-oxochromen-7-yl)oxymethyl]-1,2,4-oxadiazole-5-carboxamide
CID 29131878
N-[(3-fluorophenyl)methyl]-2-[(4-methoxyphenoxy)methyl]-1,3-oxazole-4-carboxamide
CID 26392971
2-[(4-fluorophenoxy)methyl]-N-[(3-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide
CID 46149440
2-[3-[(3-fluorophenyl)methoxy]phenyl]acetamide
CID 60604617
N-[(3-fluorophenyl)methyl]-4-[5-methyl-4-[(4-methylphenoxy)methyl]-1,3-oxazol-2-yl]benzamide
CID 20916684
3-[(2-acetamidophenoxy)methyl]-N-[(3-chlorophenyl)methyl]-1,2,4-oxadiazole-5-carboxamide
CID 45495301

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(2-amino-2-oxoethyl)phenoxy]methyl]-N-[(3-fluorophenyl)methyl]-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of 3-[[4-(2-amino-2-oxoethyl)phenoxy]methyl]-N-[(3-fluorophenyl)methyl]-1,2,4-oxadiazole-5-carboxamide (CID 29130987) is 3-[[4-(2-amino-2-oxoethyl)phenoxy]methyl]-N-[(3-fluorophenyl)methyl]-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for 3-[[4-(2-amino-2-oxoethyl)phenoxy]methyl]-N-[(3-fluorophenyl)methyl]-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for 3-[[4-(2-amino-2-oxoethyl)phenoxy]methyl]-N-[(3-fluorophenyl)methyl]-1,2,4-oxadiazole-5-carboxamide is NC(=O)Cc1ccc(OCc2noc(C(=O)NCc3cccc(F)c3)n2)cc1.
What is the InChIKey of 3-[[4-(2-amino-2-oxoethyl)phenoxy]methyl]-N-[(3-fluorophenyl)methyl]-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is KHZJSSLELABNSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O4/c20-14-3-1-2-13(8-14)10-22-18(26)19-23-17(24-28-19)11-27-15-6-4-12(5-7-15)9-16(21)25/h1-8H,9-11H2,(H2,21,25)(H,22,26).
What are the key properties of 3-[[4-(2-amino-2-oxoethyl)phenoxy]methyl]-N-[(3-fluorophenyl)methyl]-1,2,4-oxadiazole-5-carboxamide?
3-[[4-(2-amino-2-oxoethyl)phenoxy]methyl]-N-[(3-fluorophenyl)methyl]-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 384.37 g/mol, XLogP of 1.75, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(2-amino-2-oxoethyl)phenoxy]methyl]-N-[(3-fluorophenyl)methyl]-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 29130987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).