3-butyl-5-[5-methyl-7-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)heptan-2-yl]-1,2,4-oxadiazole

C19H32N4O2 — CID 138570820

IUPAC3-butyl-5-[5-methyl-7-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)heptan-2-yl]-1,2,4-oxadiazole
SMILESCCCCc1noc(C(C)CCC(C)CCc2nc(C(C)C)no2)n1
InChIInChI=1S/C19H32N4O2/c1-6-7-8-16-20-19(25-22-16)15(5)11-9-14(4)10-12-17-21-18(13(2)3)23-24-17/h13-15H,6-12H2,1-5H3
InChIKeyGARQWSYTOLUILW-UHFFFAOYSA-N
MW348.49 g/mol
LogP5.07
Rot. Bonds11

About 3-butyl-5-[5-methyl-7-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)heptan-2-yl]-1,2,4-oxadiazole

3-butyl-5-[5-methyl-7-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)heptan-2-yl]-1,2,4-oxadiazole (PubChem CID 138570820) has the molecular formula C19H32N4O2 and a molecular weight of 348.49 g/mol. Its IUPAC name is 3-butyl-5-[5-methyl-7-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)heptan-2-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-butyl-5-[5-methyl-7-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)heptan-2-yl]-1,2,4-oxadiazole
PubChem CID138570820
Molecular FormulaC19H32N4O2
Molecular Weight348.49 g/mol
Exact Mass348.25
IUPAC Name3-butyl-5-[5-methyl-7-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)heptan-2-yl]-1,2,4-oxadiazole
SMILESCCCCc1noc(C(C)CCC(C)CCc2nc(C(C)C)no2)n1
InChIInChI=1S/C19H32N4O2/c1-6-7-8-16-20-19(25-22-16)15(5)11-9-14(4)10-12-17-21-18(13(2)3)23-24-17/h13-15H,6-12H2,1-5H3
InChIKeyGARQWSYTOLUILW-UHFFFAOYSA-N
XLogP5.07
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.49
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-butyl-5-[5-methyl-7-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)heptan-2-yl]-1,2,4-oxadiazole with MolForge

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Related Compounds

3-butyl-5-propan-2-yl-1,2,4-oxadiazole
CID 123624408
3-butyl-5-[(1S)-1-chloroethyl]-1,2,4-oxadiazole
CID 25490822
4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-propylbutan-2-amine
CID 63347865
5-[(2R)-butan-2-yl]-3-propan-2-yl-1,2,4-oxadiazole
CID 90326086
1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pentan-1-amine
CID 43470394
6-(3-propyl-1,2,4-oxadiazol-5-yl)heptan-2-amine
CID 65285729
3-[2-(3-butyl-1,2,4-oxadiazol-5-yl)ethyl]-4-methylpentan-1-amine
CID 79405630
2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethanamine
CID 25220842
5-(4,4-dimethylpentyl)-3-propan-2-yl-1,2,4-oxadiazole
CID 129255475
1-(3-butyl-1,2,4-oxadiazol-5-yl)-3-methylsulfanylpropan-1-amine
CID 79405955
2-(3-butyl-1,2,4-oxadiazol-5-yl)ethanamine
CID 79002327
2-(3-butyl-1,2,4-oxadiazol-5-yl)-N-methylpentan-3-amine
CID 79412396

Frequently Asked Questions

What is the IUPAC name of 3-butyl-5-[5-methyl-7-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)heptan-2-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-butyl-5-[5-methyl-7-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)heptan-2-yl]-1,2,4-oxadiazole (CID 138570820) is 3-butyl-5-[5-methyl-7-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)heptan-2-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-butyl-5-[5-methyl-7-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)heptan-2-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-butyl-5-[5-methyl-7-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)heptan-2-yl]-1,2,4-oxadiazole is CCCCc1noc(C(C)CCC(C)CCc2nc(C(C)C)no2)n1.
What is the InChIKey of 3-butyl-5-[5-methyl-7-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)heptan-2-yl]-1,2,4-oxadiazole?
The InChIKey is GARQWSYTOLUILW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O2/c1-6-7-8-16-20-19(25-22-16)15(5)11-9-14(4)10-12-17-21-18(13(2)3)23-24-17/h13-15H,6-12H2,1-5H3.
What are the key properties of 3-butyl-5-[5-methyl-7-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)heptan-2-yl]-1,2,4-oxadiazole?
3-butyl-5-[5-methyl-7-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)heptan-2-yl]-1,2,4-oxadiazole has a molecular weight of 348.49 g/mol, XLogP of 5.07, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-5-[5-methyl-7-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)heptan-2-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 138570820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).