1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl 4-chloro-3-(2-oxoimidazolidin-1-yl)benzoate

C15H15ClN4O4 — CID 155948598

IUPAC1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl 4-chloro-3-(2-oxoimidazolidin-1-yl)benzoate
SMILESCc1nc(C(C)OC(=O)c2ccc(Cl)c(N3CCNC3=O)c2)no1
InChIInChI=1S/C15H15ClN4O4/c1-8(13-18-9(2)24-19-13)23-14(21)10-3-4-11(16)12(7-10)20-6-5-17-15(20)22/h3-4,7-8H,5-6H2,1-2H3,(H,17,22)
InChIKeySOEJJCPDNLEOTO-UHFFFAOYSA-N
MW350.76 g/mol
LogP2.48
Rot. Bonds4

About 1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl 4-chloro-3-(2-oxoimidazolidin-1-yl)benzoate

1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl 4-chloro-3-(2-oxoimidazolidin-1-yl)benzoate (PubChem CID 155948598) has the molecular formula C15H15ClN4O4 and a molecular weight of 350.76 g/mol. Its IUPAC name is 1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl 4-chloro-3-(2-oxoimidazolidin-1-yl)benzoate.

Molecular Properties

Compound Name1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl 4-chloro-3-(2-oxoimidazolidin-1-yl)benzoate
PubChem CID155948598
Molecular FormulaC15H15ClN4O4
Molecular Weight350.76 g/mol
Exact Mass350.08
IUPAC Name1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl 4-chloro-3-(2-oxoimidazolidin-1-yl)benzoate
SMILESCc1nc(C(C)OC(=O)c2ccc(Cl)c(N3CCNC3=O)c2)no1
InChIInChI=1S/C15H15ClN4O4/c1-8(13-18-9(2)24-19-13)23-14(21)10-3-4-11(16)12(7-10)20-6-5-17-15(20)22/h3-4,7-8H,5-6H2,1-2H3,(H,17,22)
InChIKeySOEJJCPDNLEOTO-UHFFFAOYSA-N
XLogP2.48
TPSA97.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.76
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl 4-chloro-3-(2-oxoimidazolidin-1-yl)benzoate?
The IUPAC name of 1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl 4-chloro-3-(2-oxoimidazolidin-1-yl)benzoate (CID 155948598) is 1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl 4-chloro-3-(2-oxoimidazolidin-1-yl)benzoate.
What is the SMILES notation for 1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl 4-chloro-3-(2-oxoimidazolidin-1-yl)benzoate?
The canonical SMILES for 1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl 4-chloro-3-(2-oxoimidazolidin-1-yl)benzoate is Cc1nc(C(C)OC(=O)c2ccc(Cl)c(N3CCNC3=O)c2)no1.
What is the InChIKey of 1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl 4-chloro-3-(2-oxoimidazolidin-1-yl)benzoate?
The InChIKey is SOEJJCPDNLEOTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN4O4/c1-8(13-18-9(2)24-19-13)23-14(21)10-3-4-11(16)12(7-10)20-6-5-17-15(20)22/h3-4,7-8H,5-6H2,1-2H3,(H,17,22).
What are the key properties of 1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl 4-chloro-3-(2-oxoimidazolidin-1-yl)benzoate?
1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl 4-chloro-3-(2-oxoimidazolidin-1-yl)benzoate has a molecular weight of 350.76 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl 4-chloro-3-(2-oxoimidazolidin-1-yl)benzoate is sourced from PubChem (CID 155948598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).