[1-[(2-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoate

C27H25N3O5 — CID 55508690

IUPAC[1-[(2-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoate
SMILESCOc1ccccc1CNC(=O)C(C)OC(=O)c1ccc(-c2nnc(-c3ccccc3C)o2)cc1
InChIInChI=1S/C27H25N3O5/c1-17-8-4-6-10-22(17)26-30-29-25(35-26)19-12-14-20(15-13-19)27(32)34-18(2)24(31)28-16-21-9-5-7-11-23(21)33-3/h4-15,18H,16H2,1-3H3,(H,28,31)
InChIKeyFUVJMOUWSZMEFY-UHFFFAOYSA-N
MW471.51 g/mol
LogP4.58
Rot. Bonds8

About [1-[(2-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoate

[1-[(2-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoate (PubChem CID 55508690) has the molecular formula C27H25N3O5 and a molecular weight of 471.51 g/mol. Its IUPAC name is [1-[(2-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoate.

Molecular Properties

Compound Name[1-[(2-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoate
PubChem CID55508690
Molecular FormulaC27H25N3O5
Molecular Weight471.51 g/mol
Exact Mass471.18
IUPAC Name[1-[(2-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoate
SMILESCOc1ccccc1CNC(=O)C(C)OC(=O)c1ccc(-c2nnc(-c3ccccc3C)o2)cc1
InChIInChI=1S/C27H25N3O5/c1-17-8-4-6-10-22(17)26-30-29-25(35-26)19-12-14-20(15-13-19)27(32)34-18(2)24(31)28-16-21-9-5-7-11-23(21)33-3/h4-15,18H,16H2,1-3H3,(H,28,31)
InChIKeyFUVJMOUWSZMEFY-UHFFFAOYSA-N
XLogP4.58
TPSA103.55 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.51
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[1-(3-methylanilino)-1-oxopropan-2-yl] 4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoate
CID 55508630
[(2R)-1-[(2-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 4-(propan-2-yloxymethyl)benzoate
CID 9382807
[1-[(2-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 4-butoxybenzoate
CID 55416952
(2S)-N-[(2-methoxyphenyl)methyl]-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 8553075
N-[[2-(ethoxymethyl)phenyl]methyl]-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 37397820
N-(1-methoxypropan-2-yl)-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 18289547
N-(3-methylbutyl)-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 26022369
(1-oxo-1-phenylpropan-2-yl) 4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoate
CID 11837743
cyclopentyl 4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoate
CID 75402652
4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide
CID 24607379
(2S,3R)-4-[(2-methoxyphenyl)methylamino]-2,3-bis[(4-methylbenzoyl)oxy]-4-oxobutanoic acid
CID 126380931
N-(4-methoxybutyl)-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 55724605

Frequently Asked Questions

What is the IUPAC name of [1-[(2-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoate?
The IUPAC name of [1-[(2-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoate (CID 55508690) is [1-[(2-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoate.
What is the SMILES notation for [1-[(2-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoate?
The canonical SMILES for [1-[(2-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoate is COc1ccccc1CNC(=O)C(C)OC(=O)c1ccc(-c2nnc(-c3ccccc3C)o2)cc1.
What is the InChIKey of [1-[(2-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoate?
The InChIKey is FUVJMOUWSZMEFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N3O5/c1-17-8-4-6-10-22(17)26-30-29-25(35-26)19-12-14-20(15-13-19)27(32)34-18(2)24(31)28-16-21-9-5-7-11-23(21)33-3/h4-15,18H,16H2,1-3H3,(H,28,31).
What are the key properties of [1-[(2-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoate?
[1-[(2-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoate has a molecular weight of 471.51 g/mol, XLogP of 4.58, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoate is sourced from PubChem (CID 55508690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).