5-methyl-3-(2-methylpentan-3-yl)-1,2,4-oxadiazole

C9H16N2O — CID 91277135

IUPAC5-methyl-3-(2-methylpentan-3-yl)-1,2,4-oxadiazole
SMILESCCC(c1noc(C)n1)C(C)C
InChIInChI=1S/C9H16N2O/c1-5-8(6(2)3)9-10-7(4)12-11-9/h6,8H,5H2,1-4H3
InChIKeyGANJCSLCOSIXMH-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.53
Rot. Bonds3

About 5-methyl-3-(2-methylpentan-3-yl)-1,2,4-oxadiazole

5-methyl-3-(2-methylpentan-3-yl)-1,2,4-oxadiazole (PubChem CID 91277135) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 5-methyl-3-(2-methylpentan-3-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-methyl-3-(2-methylpentan-3-yl)-1,2,4-oxadiazole
PubChem CID91277135
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name5-methyl-3-(2-methylpentan-3-yl)-1,2,4-oxadiazole
SMILESCCC(c1noc(C)n1)C(C)C
InChIInChI=1S/C9H16N2O/c1-5-8(6(2)3)9-10-7(4)12-11-9/h6,8H,5H2,1-4H3
InChIKeyGANJCSLCOSIXMH-UHFFFAOYSA-N
XLogP2.53
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-(5-methyl-1,2,4-oxadiazol-3-yl)propan-1-amine
CID 93243352
5-methyl-3-propan-2-yl-1,2,4-oxadiazole
CID 18785175
N-methyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)propan-1-amine
CID 130626350
1-(5-methyl-1,2,4-oxadiazol-3-yl)ethanol
CID 75525832
5-methyl-3-(2-methylbutyl)-1,2,4-oxadiazole
CID 89019114
5-methyl-3-(2-methylpentan-3-yl)-1,2-oxazole
CID 166844258
2-methoxy-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethanamine
CID 102547892
1-N,4-N-bis[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]benzene-1,4-dicarboxamide
CID 166219715
(2S)-2-methyl-N-[(1R)-1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]hexanamide
CID 100726211
4-butan-2-yl-6-(2-methylpentan-3-yl)-1,3,5-triazin-2-amine
CID 123175019
2-cyclopropyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethanamine
CID 82413784
N-benzyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethanamine
CID 130804864

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(2-methylpentan-3-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-methyl-3-(2-methylpentan-3-yl)-1,2,4-oxadiazole (CID 91277135) is 5-methyl-3-(2-methylpentan-3-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-methyl-3-(2-methylpentan-3-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-methyl-3-(2-methylpentan-3-yl)-1,2,4-oxadiazole is CCC(c1noc(C)n1)C(C)C.
What is the InChIKey of 5-methyl-3-(2-methylpentan-3-yl)-1,2,4-oxadiazole?
The InChIKey is GANJCSLCOSIXMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-5-8(6(2)3)9-10-7(4)12-11-9/h6,8H,5H2,1-4H3.
What are the key properties of 5-methyl-3-(2-methylpentan-3-yl)-1,2,4-oxadiazole?
5-methyl-3-(2-methylpentan-3-yl)-1,2,4-oxadiazole has a molecular weight of 168.24 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(2-methylpentan-3-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 91277135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).