cyclopentane;pentakis(2-methylpropane);5-propan-2-yl-1,2,4-oxadiazole

C30H68N2O — CID 162280781

IUPACcyclopentane;pentakis(2-methylpropane);5-propan-2-yl-1,2,4-oxadiazole
SMILESC1CCCC1.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)c1ncno1
InChIInChI=1S/C5H8N2O.C5H10.5C4H10/c1-4(2)5-6-3-7-8-5;1-2-4-5-3-1;5*1-4(2)3/h3-4H,1-2H3;1-5H2;5*4H,1-3H3
InChIKeyLAGAWIFNJDIYLQ-UHFFFAOYSA-N
MW472.89 g/mol
LogP11.45
Rot. Bonds1

About cyclopentane;pentakis(2-methylpropane);5-propan-2-yl-1,2,4-oxadiazole

cyclopentane;pentakis(2-methylpropane);5-propan-2-yl-1,2,4-oxadiazole (PubChem CID 162280781) has the molecular formula C30H68N2O and a molecular weight of 472.89 g/mol. Its IUPAC name is cyclopentane;pentakis(2-methylpropane);5-propan-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Namecyclopentane;pentakis(2-methylpropane);5-propan-2-yl-1,2,4-oxadiazole
PubChem CID162280781
Molecular FormulaC30H68N2O
Molecular Weight472.89 g/mol
Exact Mass472.53
IUPAC Namecyclopentane;pentakis(2-methylpropane);5-propan-2-yl-1,2,4-oxadiazole
SMILESC1CCCC1.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)c1ncno1
InChIInChI=1S/C5H8N2O.C5H10.5C4H10/c1-4(2)5-6-3-7-8-5;1-2-4-5-3-1;5*1-4(2)3/h3-4H,1-2H3;1-5H2;5*4H,1-3H3
InChIKeyLAGAWIFNJDIYLQ-UHFFFAOYSA-N
XLogP11.45
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.89
LogP ≤ 511.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-(1,2,4-oxadiazol-5-yl)ethanamine
CID 28924821
5-propan-2-yl-1,2,4-oxadiazole;2-propan-2-ylpyridine
CID 169145727
(1S)-2-methyl-1-(1,2,4-oxadiazol-5-yl)propan-1-amine
CID 82418105
(1S)-2-methyl-1-(1,2,4-oxadiazol-5-yl)butan-1-amine
CID 102993814
(1S,2S)-2-methyl-1-(1,2,4-oxadiazol-5-yl)butan-1-amine
CID 82416346
5-[1-(5-propan-2-yl-1,3-oxazol-2-yl)propan-2-yl]-1,2,4-oxadiazole
CID 156522893
3,3-dimethyl-1-(1,2,4-oxadiazol-5-yl)butan-1-amine
CID 131081533
2-amino-2-(1,2,4-oxadiazol-5-yl)ethanol
CID 82234828
2-(1,2,4-oxadiazol-5-yl)pentan-1-amine
CID 102993784
5-[1-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]ethyl]-1,2,4-oxadiazole
CID 126893958
1-(1,2,4-oxadiazol-5-yl)propan-2-amine
CID 82234832
1-(1,2,4-oxadiazol-5-yl)-1-propan-2-ylhydrazine
CID 90063744

Frequently Asked Questions

What is the IUPAC name of cyclopentane;pentakis(2-methylpropane);5-propan-2-yl-1,2,4-oxadiazole?
The IUPAC name of cyclopentane;pentakis(2-methylpropane);5-propan-2-yl-1,2,4-oxadiazole (CID 162280781) is cyclopentane;pentakis(2-methylpropane);5-propan-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for cyclopentane;pentakis(2-methylpropane);5-propan-2-yl-1,2,4-oxadiazole?
The canonical SMILES for cyclopentane;pentakis(2-methylpropane);5-propan-2-yl-1,2,4-oxadiazole is C1CCCC1.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)c1ncno1.
What is the InChIKey of cyclopentane;pentakis(2-methylpropane);5-propan-2-yl-1,2,4-oxadiazole?
The InChIKey is LAGAWIFNJDIYLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O.C5H10.5C4H10/c1-4(2)5-6-3-7-8-5;1-2-4-5-3-1;5*1-4(2)3/h3-4H,1-2H3;1-5H2;5*4H,1-3H3.
What are the key properties of cyclopentane;pentakis(2-methylpropane);5-propan-2-yl-1,2,4-oxadiazole?
cyclopentane;pentakis(2-methylpropane);5-propan-2-yl-1,2,4-oxadiazole has a molecular weight of 472.89 g/mol, XLogP of 11.45, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentane;pentakis(2-methylpropane);5-propan-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 162280781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).