1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl 3-acetamido-3-(4-methylphenyl)propanoate

C19H25N3O4 — CID 55557487

IUPAC1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl 3-acetamido-3-(4-methylphenyl)propanoate
SMILESCCCc1noc(C(C)OC(=O)CC(NC(C)=O)c2ccc(C)cc2)n1
InChIInChI=1S/C19H25N3O4/c1-5-6-17-21-19(26-22-17)13(3)25-18(24)11-16(20-14(4)23)15-9-7-12(2)8-10-15/h7-10,13,16H,5-6,11H2,1-4H3,(H,20,23)
InChIKeyMZNLOSZUDBERAL-UHFFFAOYSA-N
MW359.43 g/mol
LogP3.20
Rot. Bonds8

About 1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl 3-acetamido-3-(4-methylphenyl)propanoate

1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl 3-acetamido-3-(4-methylphenyl)propanoate (PubChem CID 55557487) has the molecular formula C19H25N3O4 and a molecular weight of 359.43 g/mol. Its IUPAC name is 1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl 3-acetamido-3-(4-methylphenyl)propanoate.

Molecular Properties

Compound Name1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl 3-acetamido-3-(4-methylphenyl)propanoate
PubChem CID55557487
Molecular FormulaC19H25N3O4
Molecular Weight359.43 g/mol
Exact Mass359.18
IUPAC Name1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl 3-acetamido-3-(4-methylphenyl)propanoate
SMILESCCCc1noc(C(C)OC(=O)CC(NC(C)=O)c2ccc(C)cc2)n1
InChIInChI=1S/C19H25N3O4/c1-5-6-17-21-19(26-22-17)13(3)25-18(24)11-16(20-14(4)23)15-9-7-12(2)8-10-15/h7-10,13,16H,5-6,11H2,1-4H3,(H,20,23)
InChIKeyMZNLOSZUDBERAL-UHFFFAOYSA-N
XLogP3.20
TPSA94.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl 3-acetamido-3-(4-methylphenyl)propanoate?
The IUPAC name of 1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl 3-acetamido-3-(4-methylphenyl)propanoate (CID 55557487) is 1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl 3-acetamido-3-(4-methylphenyl)propanoate.
What is the SMILES notation for 1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl 3-acetamido-3-(4-methylphenyl)propanoate?
The canonical SMILES for 1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl 3-acetamido-3-(4-methylphenyl)propanoate is CCCc1noc(C(C)OC(=O)CC(NC(C)=O)c2ccc(C)cc2)n1.
What is the InChIKey of 1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl 3-acetamido-3-(4-methylphenyl)propanoate?
The InChIKey is MZNLOSZUDBERAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4/c1-5-6-17-21-19(26-22-17)13(3)25-18(24)11-16(20-14(4)23)15-9-7-12(2)8-10-15/h7-10,13,16H,5-6,11H2,1-4H3,(H,20,23).
What are the key properties of 1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl 3-acetamido-3-(4-methylphenyl)propanoate?
1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl 3-acetamido-3-(4-methylphenyl)propanoate has a molecular weight of 359.43 g/mol, XLogP of 3.20, 8 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 3-acetamido-3-(4-methylphenyl)propanoate is sourced from PubChem (CID 55557487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).