3-chloro-5-propan-2-yl-1,2,4-oxadiazole

C5H7ClN2O — CID 51000283

IUPAC3-chloro-5-propan-2-yl-1,2,4-oxadiazole
SMILESCC(C)c1nc(Cl)no1
InChIInChI=1S/C5H7ClN2O/c1-3(2)4-7-5(6)8-9-4/h3H,1-2H3
InChIKeyFFTIXTYCNSSYIA-UHFFFAOYSA-N
MW146.58 g/mol
LogP1.85
Rot. Bonds1

About 3-chloro-5-propan-2-yl-1,2,4-oxadiazole

3-chloro-5-propan-2-yl-1,2,4-oxadiazole (PubChem CID 51000283) has the molecular formula C5H7ClN2O and a molecular weight of 146.58 g/mol. Its IUPAC name is 3-chloro-5-propan-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-chloro-5-propan-2-yl-1,2,4-oxadiazole
PubChem CID51000283
Molecular FormulaC5H7ClN2O
Molecular Weight146.58 g/mol
Exact Mass146.02
IUPAC Name3-chloro-5-propan-2-yl-1,2,4-oxadiazole
SMILESCC(C)c1nc(Cl)no1
InChIInChI=1S/C5H7ClN2O/c1-3(2)4-7-5(6)8-9-4/h3H,1-2H3
InChIKeyFFTIXTYCNSSYIA-UHFFFAOYSA-N
XLogP1.85
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.58
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-propan-2-yl-1,2,4-oxadiazole?
The IUPAC name of 3-chloro-5-propan-2-yl-1,2,4-oxadiazole (CID 51000283) is 3-chloro-5-propan-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 3-chloro-5-propan-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 3-chloro-5-propan-2-yl-1,2,4-oxadiazole is CC(C)c1nc(Cl)no1.
What is the InChIKey of 3-chloro-5-propan-2-yl-1,2,4-oxadiazole?
The InChIKey is FFTIXTYCNSSYIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7ClN2O/c1-3(2)4-7-5(6)8-9-4/h3H,1-2H3.
What are the key properties of 3-chloro-5-propan-2-yl-1,2,4-oxadiazole?
3-chloro-5-propan-2-yl-1,2,4-oxadiazole has a molecular weight of 146.58 g/mol, XLogP of 1.85, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-propan-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 51000283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).