5-[(2R)-butan-2-yl]-3-propan-2-yl-1,2,4-oxadiazole

C9H16N2O — CID 90326086

IUPAC5-[(2R)-butan-2-yl]-3-propan-2-yl-1,2,4-oxadiazole
SMILESCC[C@@H](C)c1nc(C(C)C)no1
InChIInChI=1S/C9H16N2O/c1-5-7(4)9-10-8(6(2)3)11-12-9/h6-7H,5H2,1-4H3/t7-/m1/s1
InChIKeyHWBZIEOCMXLVPY-SSDOTTSWSA-N
MW168.24 g/mol
LogP2.71
Rot. Bonds3

About 5-[(2R)-butan-2-yl]-3-propan-2-yl-1,2,4-oxadiazole

5-[(2R)-butan-2-yl]-3-propan-2-yl-1,2,4-oxadiazole (PubChem CID 90326086) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 5-[(2R)-butan-2-yl]-3-propan-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(2R)-butan-2-yl]-3-propan-2-yl-1,2,4-oxadiazole
PubChem CID90326086
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name5-[(2R)-butan-2-yl]-3-propan-2-yl-1,2,4-oxadiazole
SMILESCC[C@@H](C)c1nc(C(C)C)no1
InChIInChI=1S/C9H16N2O/c1-5-7(4)9-10-8(6(2)3)11-12-9/h6-7H,5H2,1-4H3/t7-/m1/s1
InChIKeyHWBZIEOCMXLVPY-SSDOTTSWSA-N
XLogP2.71
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 ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 62676276
5-[(2S)-butan-2-yl]-3-ethyl-1,2,4-oxadiazole
CID 143984841
2-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)pentan-3-one
CID 63718735
1-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-2-methylpropan-1-amine
CID 63717020
3-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)butan-2-ol
CID 63716697
1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butan-1-amine
CID 43630134
3-butan-2-yl-5-(diethoxymethyl)-1,2,4-oxadiazole
CID 63771158
1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pentan-1-amine
CID 43470394
(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methanol
CID 25219499
3-methyl-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butan-1-amine
CID 43108532
(1S)-2,2-dimethyl-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 93057363
1-(5-butan-2-yl-1,2,4-oxadiazol-3-yl)-2-piperidin-1-ylethanamine
CID 113435612

Frequently Asked Questions

What is the IUPAC name of 5-[(2R)-butan-2-yl]-3-propan-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[(2R)-butan-2-yl]-3-propan-2-yl-1,2,4-oxadiazole (CID 90326086) is 5-[(2R)-butan-2-yl]-3-propan-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(2R)-butan-2-yl]-3-propan-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[(2R)-butan-2-yl]-3-propan-2-yl-1,2,4-oxadiazole is CC[C@@H](C)c1nc(C(C)C)no1.
What is the InChIKey of 5-[(2R)-butan-2-yl]-3-propan-2-yl-1,2,4-oxadiazole?
The InChIKey is HWBZIEOCMXLVPY-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H16N2O/c1-5-7(4)9-10-8(6(2)3)11-12-9/h6-7H,5H2,1-4H3/t7-/m1/s1.
What are the key properties of 5-[(2R)-butan-2-yl]-3-propan-2-yl-1,2,4-oxadiazole?
5-[(2R)-butan-2-yl]-3-propan-2-yl-1,2,4-oxadiazole has a molecular weight of 168.24 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R)-butan-2-yl]-3-propan-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 90326086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).