2-[(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethyl carbamate

C9H9N5O3S — CID 3359596

IUPAC2-[(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethyl carbamate
SMILESNC(=O)OCCSc1nnc(-c2cnccn2)o1
InChIInChI=1S/C9H9N5O3S/c10-8(15)16-3-4-18-9-14-13-7(17-9)6-5-11-1-2-12-6/h1-2,5H,3-4H2,(H2,10,15)
InChIKeyRUFDLVKWOCJENH-UHFFFAOYSA-N
MW267.27 g/mol
LogP0.71
Rot. Bonds5

About 2-[(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethyl carbamate

2-[(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethyl carbamate (PubChem CID 3359596) has the molecular formula C9H9N5O3S and a molecular weight of 267.27 g/mol. Its IUPAC name is 2-[(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethyl carbamate.

Molecular Properties

Compound Name2-[(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethyl carbamate
PubChem CID3359596
Molecular FormulaC9H9N5O3S
Molecular Weight267.27 g/mol
Exact Mass267.04
IUPAC Name2-[(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethyl carbamate
SMILESNC(=O)OCCSc1nnc(-c2cnccn2)o1
InChIInChI=1S/C9H9N5O3S/c10-8(15)16-3-4-18-9-14-13-7(17-9)6-5-11-1-2-12-6/h1-2,5H,3-4H2,(H2,10,15)
InChIKeyRUFDLVKWOCJENH-UHFFFAOYSA-N
XLogP0.71
TPSA117.02 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.27
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethyl carbamate?
The IUPAC name of 2-[(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethyl carbamate (CID 3359596) is 2-[(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethyl carbamate.
What is the SMILES notation for 2-[(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethyl carbamate?
The canonical SMILES for 2-[(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethyl carbamate is NC(=O)OCCSc1nnc(-c2cnccn2)o1.
What is the InChIKey of 2-[(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethyl carbamate?
The InChIKey is RUFDLVKWOCJENH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N5O3S/c10-8(15)16-3-4-18-9-14-13-7(17-9)6-5-11-1-2-12-6/h1-2,5H,3-4H2,(H2,10,15).
What are the key properties of 2-[(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethyl carbamate?
2-[(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethyl carbamate has a molecular weight of 267.27 g/mol, XLogP of 0.71, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethyl carbamate is sourced from PubChem (CID 3359596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).