3-acetamido-N-[3-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]-2-methylbenzamide

C25H21FN4O4 — CID 50841818

IUPAC3-acetamido-N-[3-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]-2-methylbenzamide
SMILESCC(=O)Nc1cccc(C(=O)Nc2cccc(OCc3nnc(-c4ccc(F)cc4)o3)c2)c1C
InChIInChI=1S/C25H21FN4O4/c1-15-21(7-4-8-22(15)27-16(2)31)24(32)28-19-5-3-6-20(13-19)33-14-23-29-30-25(34-23)17-9-11-18(26)12-10-17/h3-13H,14H2,1-2H3,(H,27,31)(H,28,32)
InChIKeyOTLREIAVVNEXOB-UHFFFAOYSA-N
MW460.47 g/mol
LogP4.97
Rot. Bonds7

About 3-acetamido-N-[3-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]-2-methylbenzamide

3-acetamido-N-[3-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]-2-methylbenzamide (PubChem CID 50841818) has the molecular formula C25H21FN4O4 and a molecular weight of 460.47 g/mol. Its IUPAC name is 3-acetamido-N-[3-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]-2-methylbenzamide.

Molecular Properties

Compound Name3-acetamido-N-[3-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]-2-methylbenzamide
PubChem CID50841818
Molecular FormulaC25H21FN4O4
Molecular Weight460.47 g/mol
Exact Mass460.15
IUPAC Name3-acetamido-N-[3-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]-2-methylbenzamide
SMILESCC(=O)Nc1cccc(C(=O)Nc2cccc(OCc3nnc(-c4ccc(F)cc4)o3)c2)c1C
InChIInChI=1S/C25H21FN4O4/c1-15-21(7-4-8-22(15)27-16(2)31)24(32)28-19-5-3-6-20(13-19)33-14-23-29-30-25(34-23)17-9-11-18(26)12-10-17/h3-13H,14H2,1-2H3,(H,27,31)(H,28,32)
InChIKeyOTLREIAVVNEXOB-UHFFFAOYSA-N
XLogP4.97
TPSA106.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.47
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-[(5-phenyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]furan-3-carboxamide
CID 50841969
N-[2-[3-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]anilino]-2-oxoethyl]-2-phenylacetamide
CID 50842053
N-[3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]-1H-indole-6-carboxamide
CID 50841848
1-methyl-N-[3-[(5-phenyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]indazole-3-carboxamide
CID 50842023
N-[3-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]-1-methylindazole-3-carboxamide
CID 50841846
N-[(2R)-1-[3-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]anilino]-1-oxopropan-2-yl]benzamide
CID 92900005
4-acetamido-N-[4-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]benzamide
CID 50843851
methyl 3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]benzoate
CID 7671554
3-acetamido-N-[4-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]benzamide
CID 50844299
N-[3-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methylamino]phenyl]acetamide
CID 110651765
2-(4-fluorophenoxy)-N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide
CID 17359046
methyl 2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methylamino]benzoate
CID 78822546

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-[3-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]-2-methylbenzamide?
The IUPAC name of 3-acetamido-N-[3-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]-2-methylbenzamide (CID 50841818) is 3-acetamido-N-[3-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]-2-methylbenzamide.
What is the SMILES notation for 3-acetamido-N-[3-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]-2-methylbenzamide?
The canonical SMILES for 3-acetamido-N-[3-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]-2-methylbenzamide is CC(=O)Nc1cccc(C(=O)Nc2cccc(OCc3nnc(-c4ccc(F)cc4)o3)c2)c1C.
What is the InChIKey of 3-acetamido-N-[3-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]-2-methylbenzamide?
The InChIKey is OTLREIAVVNEXOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21FN4O4/c1-15-21(7-4-8-22(15)27-16(2)31)24(32)28-19-5-3-6-20(13-19)33-14-23-29-30-25(34-23)17-9-11-18(26)12-10-17/h3-13H,14H2,1-2H3,(H,27,31)(H,28,32).
What are the key properties of 3-acetamido-N-[3-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]-2-methylbenzamide?
3-acetamido-N-[3-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]-2-methylbenzamide has a molecular weight of 460.47 g/mol, XLogP of 4.97, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-[3-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]-2-methylbenzamide is sourced from PubChem (CID 50841818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).