3-(5-ethyl-1,3,4-oxadiazol-2-yl)propan-1-ol

C7H12N2O2 — CID 82125053

IUPAC3-(5-ethyl-1,3,4-oxadiazol-2-yl)propan-1-ol
SMILESCCc1nnc(CCCO)o1
InChIInChI=1S/C7H12N2O2/c1-2-6-8-9-7(11-6)4-3-5-10/h10H,2-5H2,1H3
InChIKeySKLIUWLBRGLFAS-UHFFFAOYSA-N
MW156.18 g/mol
LogP0.56
Rot. Bonds4

About 3-(5-ethyl-1,3,4-oxadiazol-2-yl)propan-1-ol

3-(5-ethyl-1,3,4-oxadiazol-2-yl)propan-1-ol (PubChem CID 82125053) has the molecular formula C7H12N2O2 and a molecular weight of 156.18 g/mol. Its IUPAC name is 3-(5-ethyl-1,3,4-oxadiazol-2-yl)propan-1-ol.

Molecular Properties

Compound Name3-(5-ethyl-1,3,4-oxadiazol-2-yl)propan-1-ol
PubChem CID82125053
Molecular FormulaC7H12N2O2
Molecular Weight156.18 g/mol
Exact Mass156.09
IUPAC Name3-(5-ethyl-1,3,4-oxadiazol-2-yl)propan-1-ol
SMILESCCc1nnc(CCCO)o1
InChIInChI=1S/C7H12N2O2/c1-2-6-8-9-7(11-6)4-3-5-10/h10H,2-5H2,1H3
InChIKeySKLIUWLBRGLFAS-UHFFFAOYSA-N
XLogP0.56
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(5-ethyl-1,3,4-oxadiazol-2-yl)propan-1-ol?
The IUPAC name of 3-(5-ethyl-1,3,4-oxadiazol-2-yl)propan-1-ol (CID 82125053) is 3-(5-ethyl-1,3,4-oxadiazol-2-yl)propan-1-ol.
What is the SMILES notation for 3-(5-ethyl-1,3,4-oxadiazol-2-yl)propan-1-ol?
The canonical SMILES for 3-(5-ethyl-1,3,4-oxadiazol-2-yl)propan-1-ol is CCc1nnc(CCCO)o1.
What is the InChIKey of 3-(5-ethyl-1,3,4-oxadiazol-2-yl)propan-1-ol?
The InChIKey is SKLIUWLBRGLFAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2/c1-2-6-8-9-7(11-6)4-3-5-10/h10H,2-5H2,1H3.
What are the key properties of 3-(5-ethyl-1,3,4-oxadiazol-2-yl)propan-1-ol?
3-(5-ethyl-1,3,4-oxadiazol-2-yl)propan-1-ol has a molecular weight of 156.18 g/mol, XLogP of 0.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-ethyl-1,3,4-oxadiazol-2-yl)propan-1-ol is sourced from PubChem (CID 82125053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).