(3-propyl-1,2,4-oxadiazol-5-yl)methyl 2-[(3-methylbenzoyl)amino]benzoate

C21H21N3O4 — CID 55533338

IUPAC(3-propyl-1,2,4-oxadiazol-5-yl)methyl 2-[(3-methylbenzoyl)amino]benzoate
SMILESCCCc1noc(COC(=O)c2ccccc2NC(=O)c2cccc(C)c2)n1
InChIInChI=1S/C21H21N3O4/c1-3-7-18-23-19(28-24-18)13-27-21(26)16-10-4-5-11-17(16)22-20(25)15-9-6-8-14(2)12-15/h4-6,8-12H,3,7,13H2,1-2H3,(H,22,25)
InChIKeyGQDGQXPHWNNBIG-UHFFFAOYSA-N
MW379.42 g/mol
LogP3.94
Rot. Bonds7

About (3-propyl-1,2,4-oxadiazol-5-yl)methyl 2-[(3-methylbenzoyl)amino]benzoate

(3-propyl-1,2,4-oxadiazol-5-yl)methyl 2-[(3-methylbenzoyl)amino]benzoate (PubChem CID 55533338) has the molecular formula C21H21N3O4 and a molecular weight of 379.42 g/mol. Its IUPAC name is (3-propyl-1,2,4-oxadiazol-5-yl)methyl 2-[(3-methylbenzoyl)amino]benzoate.

Molecular Properties

Compound Name(3-propyl-1,2,4-oxadiazol-5-yl)methyl 2-[(3-methylbenzoyl)amino]benzoate
PubChem CID55533338
Molecular FormulaC21H21N3O4
Molecular Weight379.42 g/mol
Exact Mass379.15
IUPAC Name(3-propyl-1,2,4-oxadiazol-5-yl)methyl 2-[(3-methylbenzoyl)amino]benzoate
SMILESCCCc1noc(COC(=O)c2ccccc2NC(=O)c2cccc(C)c2)n1
InChIInChI=1S/C21H21N3O4/c1-3-7-18-23-19(28-24-18)13-27-21(26)16-10-4-5-11-17(16)22-20(25)15-9-6-8-14(2)12-15/h4-6,8-12H,3,7,13H2,1-2H3,(H,22,25)
InChIKeyGQDGQXPHWNNBIG-UHFFFAOYSA-N
XLogP3.94
TPSA94.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl 2-benzamidobenzoate
CID 30393854
benzyl 2-[(3-methylbenzoyl)amino]benzoate
CID 956272
ethyl 2-[[3-[(2-ethoxycarbonylphenyl)carbamoyl]benzoyl]amino]benzoate
CID 4013454
2-chloroprop-2-enyl 2-[(3-methylbenzoyl)amino]benzoate
CID 46678769
(3-ethyl-1,2,4-oxadiazol-5-yl)methyl 2-[(2-phenylacetyl)amino]benzoate
CID 55540086
N-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]-3-methylbenzamide
CID 91917634
[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-[(3-methylbenzoyl)amino]benzoate
CID 30101463
(3-propyl-1,2,4-oxadiazol-5-yl)methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate
CID 55563241
[2-(2,5-dimethylanilino)-2-oxoethyl] 2-[(3-methylbenzoyl)amino]benzoate
CID 7982581
[2-(3-methylbutylamino)-2-oxoethyl] 2-[(3-methylbenzoyl)amino]benzoate
CID 7457283
[2-(4-acetamidophenyl)-2-oxoethyl] 2-[(3-methylbenzoyl)amino]benzoate
CID 42976841
[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 2-[(3-methylbenzoyl)amino]benzoate
CID 55357677

Frequently Asked Questions

What is the IUPAC name of (3-propyl-1,2,4-oxadiazol-5-yl)methyl 2-[(3-methylbenzoyl)amino]benzoate?
The IUPAC name of (3-propyl-1,2,4-oxadiazol-5-yl)methyl 2-[(3-methylbenzoyl)amino]benzoate (CID 55533338) is (3-propyl-1,2,4-oxadiazol-5-yl)methyl 2-[(3-methylbenzoyl)amino]benzoate.
What is the SMILES notation for (3-propyl-1,2,4-oxadiazol-5-yl)methyl 2-[(3-methylbenzoyl)amino]benzoate?
The canonical SMILES for (3-propyl-1,2,4-oxadiazol-5-yl)methyl 2-[(3-methylbenzoyl)amino]benzoate is CCCc1noc(COC(=O)c2ccccc2NC(=O)c2cccc(C)c2)n1.
What is the InChIKey of (3-propyl-1,2,4-oxadiazol-5-yl)methyl 2-[(3-methylbenzoyl)amino]benzoate?
The InChIKey is GQDGQXPHWNNBIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O4/c1-3-7-18-23-19(28-24-18)13-27-21(26)16-10-4-5-11-17(16)22-20(25)15-9-6-8-14(2)12-15/h4-6,8-12H,3,7,13H2,1-2H3,(H,22,25).
What are the key properties of (3-propyl-1,2,4-oxadiazol-5-yl)methyl 2-[(3-methylbenzoyl)amino]benzoate?
(3-propyl-1,2,4-oxadiazol-5-yl)methyl 2-[(3-methylbenzoyl)amino]benzoate has a molecular weight of 379.42 g/mol, XLogP of 3.94, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-propyl-1,2,4-oxadiazol-5-yl)methyl 2-[(3-methylbenzoyl)amino]benzoate is sourced from PubChem (CID 55533338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).