ethane;5-propyl-3H-1,3,4-oxadiazol-2-one

C7H14N2O2 — CID 144594891

IUPACethane;5-propyl-3H-1,3,4-oxadiazol-2-one
SMILESCC.CCCc1n[nH]c(=O)o1
InChIInChI=1S/C5H8N2O2.C2H6/c1-2-3-4-6-7-5(8)9-4;1-2/h2-3H2,1H3,(H,7,8);1-2H3
InChIKeyDJCUPQUSKFAGLM-UHFFFAOYSA-N
MW158.20 g/mol
LogP1.34
Rot. Bonds2

About ethane;5-propyl-3H-1,3,4-oxadiazol-2-one

ethane;5-propyl-3H-1,3,4-oxadiazol-2-one (PubChem CID 144594891) has the molecular formula C7H14N2O2 and a molecular weight of 158.20 g/mol. Its IUPAC name is ethane;5-propyl-3H-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Nameethane;5-propyl-3H-1,3,4-oxadiazol-2-one
PubChem CID144594891
Molecular FormulaC7H14N2O2
Molecular Weight158.20 g/mol
Exact Mass158.11
IUPAC Nameethane;5-propyl-3H-1,3,4-oxadiazol-2-one
SMILESCC.CCCc1n[nH]c(=O)o1
InChIInChI=1S/C5H8N2O2.C2H6/c1-2-3-4-6-7-5(8)9-4;1-2/h2-3H2,1H3,(H,7,8);1-2H3
InChIKeyDJCUPQUSKFAGLM-UHFFFAOYSA-N
XLogP1.34
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;5-propyl-3H-1,3,4-oxadiazol-2-one?
The IUPAC name of ethane;5-propyl-3H-1,3,4-oxadiazol-2-one (CID 144594891) is ethane;5-propyl-3H-1,3,4-oxadiazol-2-one.
What is the SMILES notation for ethane;5-propyl-3H-1,3,4-oxadiazol-2-one?
The canonical SMILES for ethane;5-propyl-3H-1,3,4-oxadiazol-2-one is CC.CCCc1n[nH]c(=O)o1.
What is the InChIKey of ethane;5-propyl-3H-1,3,4-oxadiazol-2-one?
The InChIKey is DJCUPQUSKFAGLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O2.C2H6/c1-2-3-4-6-7-5(8)9-4;1-2/h2-3H2,1H3,(H,7,8);1-2H3.
What are the key properties of ethane;5-propyl-3H-1,3,4-oxadiazol-2-one?
ethane;5-propyl-3H-1,3,4-oxadiazol-2-one has a molecular weight of 158.20 g/mol, XLogP of 1.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-propyl-3H-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 144594891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).