3-chloro-5-(2-propan-2-yloxypropan-2-yl)-1,2,4-oxadiazole

C8H13ClN2O2 — CID 131021297

IUPAC3-chloro-5-(2-propan-2-yloxypropan-2-yl)-1,2,4-oxadiazole
SMILESCC(C)OC(C)(C)c1nc(Cl)no1
InChIInChI=1S/C8H13ClN2O2/c1-5(2)12-8(3,4)6-10-7(9)11-13-6/h5H,1-4H3
InChIKeyRRAGSPXSTZUCNK-UHFFFAOYSA-N
MW204.66 g/mol
LogP2.38
Rot. Bonds3

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

3-chloro-5-(2-propan-2-yloxypropan-2-yl)-1,2,4-oxadiazole (PubChem CID 131021297) has the molecular formula C8H13ClN2O2 and a molecular weight of 204.66 g/mol. Its IUPAC name is 3-chloro-5-(2-propan-2-yloxypropan-2-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-chloro-5-(2-propan-2-yloxypropan-2-yl)-1,2,4-oxadiazole
PubChem CID131021297
Molecular FormulaC8H13ClN2O2
Molecular Weight204.66 g/mol
Exact Mass204.07
IUPAC Name3-chloro-5-(2-propan-2-yloxypropan-2-yl)-1,2,4-oxadiazole
SMILESCC(C)OC(C)(C)c1nc(Cl)no1
InChIInChI=1S/C8H13ClN2O2/c1-5(2)12-8(3,4)6-10-7(9)11-13-6/h5H,1-4H3
InChIKeyRRAGSPXSTZUCNK-UHFFFAOYSA-N
XLogP2.38
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.66
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-5-(2-cyclobutylpropan-2-yl)-1,2,4-oxadiazole
CID 130700399
3-chloro-5-(1,1,2,2,2-pentafluoroethyl)-1,2,4-oxadiazole
CID 104632896
3-chloro-5-propan-2-yl-1,2,4-oxadiazole
CID 51000283
3-chloro-5-methoxy-1,2,4-oxadiazole
CID 112571823
1-[5-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-3-yl]-2-propan-2-yloxyethanamine
CID 103022287
2-[5-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine
CID 103022247
1-[5-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-3-yl]-2,2-dimethylpropan-1-amine
CID 103022224
2-[3-[cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine
CID 116703517
propan-2-yl 5-tert-butyl-1,2,4-oxadiazole-3-carboxylate
CID 146026804
[5-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-3-yl]methanol
CID 103020801
N-methyl-2-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 82007871
3-chloro-5-(1-methylsulfanylpropan-2-yl)-1,2,4-oxadiazole
CID 130485969

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(2-propan-2-yloxypropan-2-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-chloro-5-(2-propan-2-yloxypropan-2-yl)-1,2,4-oxadiazole (CID 131021297) is 3-chloro-5-(2-propan-2-yloxypropan-2-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-chloro-5-(2-propan-2-yloxypropan-2-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-chloro-5-(2-propan-2-yloxypropan-2-yl)-1,2,4-oxadiazole is CC(C)OC(C)(C)c1nc(Cl)no1.
What is the InChIKey of 3-chloro-5-(2-propan-2-yloxypropan-2-yl)-1,2,4-oxadiazole?
The InChIKey is RRAGSPXSTZUCNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13ClN2O2/c1-5(2)12-8(3,4)6-10-7(9)11-13-6/h5H,1-4H3.
What are the key properties of 3-chloro-5-(2-propan-2-yloxypropan-2-yl)-1,2,4-oxadiazole?
3-chloro-5-(2-propan-2-yloxypropan-2-yl)-1,2,4-oxadiazole has a molecular weight of 204.66 g/mol, XLogP of 2.38, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(2-propan-2-yloxypropan-2-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 131021297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).