1-[2-[[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]imidazolidin-2-one

C15H16N4O4S — CID 7661135

IUPAC1-[2-[[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]imidazolidin-2-one
SMILESCCOc1ccc(-c2nnc(SCC(=O)N3CCNC3=O)o2)cc1
InChIInChI=1S/C15H16N4O4S/c1-2-22-11-5-3-10(4-6-11)13-17-18-15(23-13)24-9-12(20)19-8-7-16-14(19)21/h3-6H,2,7-9H2,1H3,(H,16,21)
InChIKeyISFUTYFEXYMNGD-UHFFFAOYSA-N
MW348.38 g/mol
LogP1.78
Rot. Bonds6

About 1-[2-[[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]imidazolidin-2-one

1-[2-[[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]imidazolidin-2-one (PubChem CID 7661135) has the molecular formula C15H16N4O4S and a molecular weight of 348.38 g/mol. Its IUPAC name is 1-[2-[[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]imidazolidin-2-one
PubChem CID7661135
Molecular FormulaC15H16N4O4S
Molecular Weight348.38 g/mol
Exact Mass348.09
IUPAC Name1-[2-[[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]imidazolidin-2-one
SMILESCCOc1ccc(-c2nnc(SCC(=O)N3CCNC3=O)o2)cc1
InChIInChI=1S/C15H16N4O4S/c1-2-22-11-5-3-10(4-6-11)13-17-18-15(23-13)24-9-12(20)19-8-7-16-14(19)21/h3-6H,2,7-9H2,1H3,(H,16,21)
InChIKeyISFUTYFEXYMNGD-UHFFFAOYSA-N
XLogP1.78
TPSA97.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]imidazolidin-2-one?
The IUPAC name of 1-[2-[[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]imidazolidin-2-one (CID 7661135) is 1-[2-[[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-[[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-[[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]imidazolidin-2-one is CCOc1ccc(-c2nnc(SCC(=O)N3CCNC3=O)o2)cc1.
What is the InChIKey of 1-[2-[[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]imidazolidin-2-one?
The InChIKey is ISFUTYFEXYMNGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O4S/c1-2-22-11-5-3-10(4-6-11)13-17-18-15(23-13)24-9-12(20)19-8-7-16-14(19)21/h3-6H,2,7-9H2,1H3,(H,16,21).
What are the key properties of 1-[2-[[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]imidazolidin-2-one?
1-[2-[[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]imidazolidin-2-one has a molecular weight of 348.38 g/mol, XLogP of 1.78, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]imidazolidin-2-one is sourced from PubChem (CID 7661135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).