ethyl N-[2-[[2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]-ethylamino]acetyl]carbamate

C14H20N4O5S — CID 9373688

IUPACethyl N-[2-[[2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]-ethylamino]acetyl]carbamate
SMILESCCOC(=O)NC(=O)CN(CC)C(=O)CSc1nnc(C2CC2)o1
InChIInChI=1S/C14H20N4O5S/c1-3-18(7-10(19)15-13(21)22-4-2)11(20)8-24-14-17-16-12(23-14)9-5-6-9/h9H,3-8H2,1-2H3,(H,15,19,21)
InChIKeyVEIYVNCCKOIFQH-UHFFFAOYSA-N
MW356.40 g/mol
LogP1.16
Rot. Bonds8

About ethyl N-[2-[[2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]-ethylamino]acetyl]carbamate

ethyl N-[2-[[2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]-ethylamino]acetyl]carbamate (PubChem CID 9373688) has the molecular formula C14H20N4O5S and a molecular weight of 356.40 g/mol. Its IUPAC name is ethyl N-[2-[[2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]-ethylamino]acetyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-[[2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]-ethylamino]acetyl]carbamate
PubChem CID9373688
Molecular FormulaC14H20N4O5S
Molecular Weight356.40 g/mol
Exact Mass356.12
IUPAC Nameethyl N-[2-[[2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]-ethylamino]acetyl]carbamate
SMILESCCOC(=O)NC(=O)CN(CC)C(=O)CSc1nnc(C2CC2)o1
InChIInChI=1S/C14H20N4O5S/c1-3-18(7-10(19)15-13(21)22-4-2)11(20)8-24-14-17-16-12(23-14)9-5-6-9/h9H,3-8H2,1-2H3,(H,15,19,21)
InChIKeyVEIYVNCCKOIFQH-UHFFFAOYSA-N
XLogP1.16
TPSA114.63 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-[[2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]-ethylamino]acetyl]carbamate?
The IUPAC name of ethyl N-[2-[[2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]-ethylamino]acetyl]carbamate (CID 9373688) is ethyl N-[2-[[2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]-ethylamino]acetyl]carbamate.
What is the SMILES notation for ethyl N-[2-[[2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]-ethylamino]acetyl]carbamate?
The canonical SMILES for ethyl N-[2-[[2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]-ethylamino]acetyl]carbamate is CCOC(=O)NC(=O)CN(CC)C(=O)CSc1nnc(C2CC2)o1.
What is the InChIKey of ethyl N-[2-[[2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]-ethylamino]acetyl]carbamate?
The InChIKey is VEIYVNCCKOIFQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O5S/c1-3-18(7-10(19)15-13(21)22-4-2)11(20)8-24-14-17-16-12(23-14)9-5-6-9/h9H,3-8H2,1-2H3,(H,15,19,21).
What are the key properties of ethyl N-[2-[[2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]-ethylamino]acetyl]carbamate?
ethyl N-[2-[[2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]-ethylamino]acetyl]carbamate has a molecular weight of 356.40 g/mol, XLogP of 1.16, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-[[2-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]-ethylamino]acetyl]carbamate is sourced from PubChem (CID 9373688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).