1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl 2-[(3-bromobenzoyl)amino]acetate

C16H18BrN3O4 — CID 55557308

IUPAC1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl 2-[(3-bromobenzoyl)amino]acetate
SMILESCCCc1noc(C(C)OC(=O)CNC(=O)c2cccc(Br)c2)n1
InChIInChI=1S/C16H18BrN3O4/c1-3-5-13-19-16(24-20-13)10(2)23-14(21)9-18-15(22)11-6-4-7-12(17)8-11/h4,6-8,10H,3,5,9H2,1-2H3,(H,18,22)
InChIKeyVHFRKFASXRKFIT-UHFFFAOYSA-N
MW396.24 g/mol
LogP2.82
Rot. Bonds7

About 1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl 2-[(3-bromobenzoyl)amino]acetate

1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl 2-[(3-bromobenzoyl)amino]acetate (PubChem CID 55557308) has the molecular formula C16H18BrN3O4 and a molecular weight of 396.24 g/mol. Its IUPAC name is 1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl 2-[(3-bromobenzoyl)amino]acetate.

Molecular Properties

Compound Name1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl 2-[(3-bromobenzoyl)amino]acetate
PubChem CID55557308
Molecular FormulaC16H18BrN3O4
Molecular Weight396.24 g/mol
Exact Mass395.05
IUPAC Name1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl 2-[(3-bromobenzoyl)amino]acetate
SMILESCCCc1noc(C(C)OC(=O)CNC(=O)c2cccc(Br)c2)n1
InChIInChI=1S/C16H18BrN3O4/c1-3-5-13-19-16(24-20-13)10(2)23-14(21)9-18-15(22)11-6-4-7-12(17)8-11/h4,6-8,10H,3,5,9H2,1-2H3,(H,18,22)
InChIKeyVHFRKFASXRKFIT-UHFFFAOYSA-N
XLogP2.82
TPSA94.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.24
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[1-(2-methylpropylamino)-1-oxopropan-2-yl] 2-[(3-bromobenzoyl)amino]acetate
CID 55419450
[1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 2-[(3-bromobenzoyl)amino]acetate
CID 55419495
(2-oxo-1,2-diphenylethyl) 2-[(3-bromobenzoyl)amino]acetate
CID 42963752
1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl 2-bromo-5-fluorobenzoate
CID 55557824
3-bromo-N-[2-(butan-2-ylamino)-2-oxoethyl]benzamide
CID 46521709
[1-(2-cyanoanilino)-1-oxopropan-2-yl] 2-[(3-bromobenzoyl)amino]acetate
CID 46791832
[1-oxo-1-(2-phenylanilino)propan-2-yl] 2-[(3-bromobenzoyl)amino]acetate
CID 42969052
1-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl 2-[(3,4-dimethoxybenzoyl)amino]acetate
CID 55524855
3-bromo-N-[2-[2-(methylamino)propylamino]-2-oxoethyl]benzamide;hydrochloride
CID 120831532
[1-(4-chloro-2-methoxy-5-methylanilino)-1-oxopropan-2-yl] 2-[(3-bromobenzoyl)amino]acetate
CID 46629420
3-bromo-N-[2-[2-(3-methylbutanoyl)hydrazinyl]-2-oxoethyl]benzamide
CID 41387812
3-bromo-N-(2-hydroxy-2,4-dimethylpentyl)benzamide
CID 66179359

Frequently Asked Questions

What is the IUPAC name of 1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl 2-[(3-bromobenzoyl)amino]acetate?
The IUPAC name of 1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl 2-[(3-bromobenzoyl)amino]acetate (CID 55557308) is 1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl 2-[(3-bromobenzoyl)amino]acetate.
What is the SMILES notation for 1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl 2-[(3-bromobenzoyl)amino]acetate?
The canonical SMILES for 1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl 2-[(3-bromobenzoyl)amino]acetate is CCCc1noc(C(C)OC(=O)CNC(=O)c2cccc(Br)c2)n1.
What is the InChIKey of 1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl 2-[(3-bromobenzoyl)amino]acetate?
The InChIKey is VHFRKFASXRKFIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrN3O4/c1-3-5-13-19-16(24-20-13)10(2)23-14(21)9-18-15(22)11-6-4-7-12(17)8-11/h4,6-8,10H,3,5,9H2,1-2H3,(H,18,22).
What are the key properties of 1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl 2-[(3-bromobenzoyl)amino]acetate?
1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl 2-[(3-bromobenzoyl)amino]acetate has a molecular weight of 396.24 g/mol, XLogP of 2.82, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl 2-[(3-bromobenzoyl)amino]acetate is sourced from PubChem (CID 55557308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).