[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl 4-(acetamidomethyl)benzoate

C20H19N3O5 — CID 18102681

IUPAC[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl 4-(acetamidomethyl)benzoate
SMILESCOc1ccc(-c2nnc(COC(=O)c3ccc(CNC(C)=O)cc3)o2)cc1
InChIInChI=1S/C20H19N3O5/c1-13(24)21-11-14-3-5-16(6-4-14)20(25)27-12-18-22-23-19(28-18)15-7-9-17(26-2)10-8-15/h3-10H,11-12H2,1-2H3,(H,21,24)
InChIKeyFXMYXRXYAXYUHG-UHFFFAOYSA-N
MW381.39 g/mol
LogP2.74
Rot. Bonds7

About [5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl 4-(acetamidomethyl)benzoate

[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl 4-(acetamidomethyl)benzoate (PubChem CID 18102681) has the molecular formula C20H19N3O5 and a molecular weight of 381.39 g/mol. Its IUPAC name is [5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl 4-(acetamidomethyl)benzoate.

Molecular Properties

Compound Name[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl 4-(acetamidomethyl)benzoate
PubChem CID18102681
Molecular FormulaC20H19N3O5
Molecular Weight381.39 g/mol
Exact Mass381.13
IUPAC Name[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl 4-(acetamidomethyl)benzoate
SMILESCOc1ccc(-c2nnc(COC(=O)c3ccc(CNC(C)=O)cc3)o2)cc1
InChIInChI=1S/C20H19N3O5/c1-13(24)21-11-14-3-5-16(6-4-14)20(25)27-12-18-22-23-19(28-18)15-7-9-17(26-2)10-8-15/h3-10H,11-12H2,1-2H3,(H,21,24)
InChIKeyFXMYXRXYAXYUHG-UHFFFAOYSA-N
XLogP2.74
TPSA103.55 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.39
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl 4-(acetamidomethyl)benzoate with MolForge

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Related Compounds

[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 4-methoxybenzoate
CID 7861717
[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl 4-[(carbamoylamino)methyl]benzoate
CID 55539141
4-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]benzamide
CID 26051370
2-(4-methoxyphenyl)ethyl 4-(acetamidomethyl)benzoate
CID 46819126
4-acetamido-N-[4-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]benzamide
CID 50843851
[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-[(4-methoxybenzoyl)amino]acetate
CID 35779425
N-[(4-methoxyphenyl)methyl]acetamide;hydrochloride
CID 139808929
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(4-methoxyphenoxy)propanoate
CID 46519545
[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl 1,2,3,4-tetrahydroacridine-9-carboxylate
CID 24530725
2-(methoxymethyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 67274190
2-(4-chlorophenyl)-N-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]acetamide
CID 110320118
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 4-(propan-2-yloxymethyl)benzoate
CID 8985549

Frequently Asked Questions

What is the IUPAC name of [5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl 4-(acetamidomethyl)benzoate?
The IUPAC name of [5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl 4-(acetamidomethyl)benzoate (CID 18102681) is [5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl 4-(acetamidomethyl)benzoate.
What is the SMILES notation for [5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl 4-(acetamidomethyl)benzoate?
The canonical SMILES for [5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl 4-(acetamidomethyl)benzoate is COc1ccc(-c2nnc(COC(=O)c3ccc(CNC(C)=O)cc3)o2)cc1.
What is the InChIKey of [5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl 4-(acetamidomethyl)benzoate?
The InChIKey is FXMYXRXYAXYUHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O5/c1-13(24)21-11-14-3-5-16(6-4-14)20(25)27-12-18-22-23-19(28-18)15-7-9-17(26-2)10-8-15/h3-10H,11-12H2,1-2H3,(H,21,24).
What are the key properties of [5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl 4-(acetamidomethyl)benzoate?
[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl 4-(acetamidomethyl)benzoate has a molecular weight of 381.39 g/mol, XLogP of 2.74, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl 4-(acetamidomethyl)benzoate is sourced from PubChem (CID 18102681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).