3-methyl-5-(2-methylpropyl)-1,2,4-oxadiazole;propane

C10H20N2O — CID 171626644

IUPAC3-methyl-5-(2-methylpropyl)-1,2,4-oxadiazole;propane
SMILESCCC.Cc1noc(CC(C)C)n1
InChIInChI=1S/C7H12N2O.C3H8/c1-5(2)4-7-8-6(3)9-10-7;1-3-2/h5H,4H2,1-3H3;3H2,1-2H3
InChIKeyUQSQXFBAOZMVON-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.99
Rot. Bonds2

About 3-methyl-5-(2-methylpropyl)-1,2,4-oxadiazole;propane

3-methyl-5-(2-methylpropyl)-1,2,4-oxadiazole;propane (PubChem CID 171626644) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 3-methyl-5-(2-methylpropyl)-1,2,4-oxadiazole;propane.

Molecular Properties

Compound Name3-methyl-5-(2-methylpropyl)-1,2,4-oxadiazole;propane
PubChem CID171626644
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name3-methyl-5-(2-methylpropyl)-1,2,4-oxadiazole;propane
SMILESCCC.Cc1noc(CC(C)C)n1
InChIInChI=1S/C7H12N2O.C3H8/c1-5(2)4-7-8-6(3)9-10-7;1-3-2/h5H,4H2,1-3H3;3H2,1-2H3
InChIKeyUQSQXFBAOZMVON-UHFFFAOYSA-N
XLogP2.99
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)-N-propylbutan-2-amine
CID 63347670
N-ethyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)pentan-2-amine
CID 63348276
N-methyl-2-[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 53211498
3-methyl-5-[(4-propan-2-ylphenoxy)methyl]-1,2,4-oxadiazole
CID 60718376
2-[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]acetaldehyde
CID 115079152
N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]thiohydroxylamine
CID 155238388
2-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]propane-1,2-diamine
CID 103389384
5-(1-ethylsulfanylethyl)-3-methyl-1,2,4-oxadiazole
CID 130652596
5-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]heptan-3-amine
CID 61015246
1-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanol
CID 43503686
N-chloro-1-(3-methyl-1,2,4-oxadiazol-5-yl)methanamine
CID 165372391
2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]-1-[4-(2-methylpropyl)phenyl]ethanol
CID 61014998

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(2-methylpropyl)-1,2,4-oxadiazole;propane?
The IUPAC name of 3-methyl-5-(2-methylpropyl)-1,2,4-oxadiazole;propane (CID 171626644) is 3-methyl-5-(2-methylpropyl)-1,2,4-oxadiazole;propane.
What is the SMILES notation for 3-methyl-5-(2-methylpropyl)-1,2,4-oxadiazole;propane?
The canonical SMILES for 3-methyl-5-(2-methylpropyl)-1,2,4-oxadiazole;propane is CCC.Cc1noc(CC(C)C)n1.
What is the InChIKey of 3-methyl-5-(2-methylpropyl)-1,2,4-oxadiazole;propane?
The InChIKey is UQSQXFBAOZMVON-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O.C3H8/c1-5(2)4-7-8-6(3)9-10-7;1-3-2/h5H,4H2,1-3H3;3H2,1-2H3.
What are the key properties of 3-methyl-5-(2-methylpropyl)-1,2,4-oxadiazole;propane?
3-methyl-5-(2-methylpropyl)-1,2,4-oxadiazole;propane has a molecular weight of 184.28 g/mol, XLogP of 2.99, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(2-methylpropyl)-1,2,4-oxadiazole;propane is sourced from PubChem (CID 171626644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).