5-[(1R)-1-cyclopropylethyl]-3-methyl-1,2,4-oxadiazole

C8H12N2O — CID 89185724

IUPAC5-[(1R)-1-cyclopropylethyl]-3-methyl-1,2,4-oxadiazole
SMILESCc1noc([C@H](C)C2CC2)n1
InChIInChI=1S/C8H12N2O/c1-5(7-3-4-7)8-9-6(2)10-11-8/h5,7H,3-4H2,1-2H3/t5-/m1/s1
InChIKeyCKCGEMXRHOTCOI-RXMQYKEDSA-N
MW152.20 g/mol
LogP1.89
Rot. Bonds2

About 5-[(1R)-1-cyclopropylethyl]-3-methyl-1,2,4-oxadiazole

5-[(1R)-1-cyclopropylethyl]-3-methyl-1,2,4-oxadiazole (PubChem CID 89185724) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is 5-[(1R)-1-cyclopropylethyl]-3-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(1R)-1-cyclopropylethyl]-3-methyl-1,2,4-oxadiazole
PubChem CID89185724
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name5-[(1R)-1-cyclopropylethyl]-3-methyl-1,2,4-oxadiazole
SMILESCc1noc([C@H](C)C2CC2)n1
InChIInChI=1S/C8H12N2O/c1-5(7-3-4-7)8-9-6(2)10-11-8/h5,7H,3-4H2,1-2H3/t5-/m1/s1
InChIKeyCKCGEMXRHOTCOI-RXMQYKEDSA-N
XLogP1.89
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-[5-(1-cyclopropylethyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 104633437
3-(1-chloropropyl)-5-(1-cyclopropylethyl)-1,2,4-oxadiazole
CID 103095417
5-[(1S)-1-cyclopropylethyl]-3-(phenoxymethyl)-1,2,4-oxadiazole
CID 99818778
N-[2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]cyclopentanamine
CID 115720116
1-[5-(1-cyclopropylethyl)-1,2,4-oxadiazol-3-yl]-4-ethylcyclohexan-1-amine
CID 83148343
N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]thietan-3-amine
CID 130610885
3-methyl-5-[(1S)-1-(4-propan-2-ylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole
CID 95275038
methyl 2-(3-methyl-1,2,4-oxadiazol-5-yl)propanoate
CID 77230842
[1-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]methanol
CID 94087324
(1R)-N-(cyclohexylmethyl)-N-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine
CID 95154008
5-(1-ethylsulfanylethyl)-3-methyl-1,2,4-oxadiazole
CID 130652596
(1R)-2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)-N-propan-2-ylpropan-1-amine
CID 146534926

Frequently Asked Questions

What is the IUPAC name of 5-[(1R)-1-cyclopropylethyl]-3-methyl-1,2,4-oxadiazole?
The IUPAC name of 5-[(1R)-1-cyclopropylethyl]-3-methyl-1,2,4-oxadiazole (CID 89185724) is 5-[(1R)-1-cyclopropylethyl]-3-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(1R)-1-cyclopropylethyl]-3-methyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[(1R)-1-cyclopropylethyl]-3-methyl-1,2,4-oxadiazole is Cc1noc([C@H](C)C2CC2)n1.
What is the InChIKey of 5-[(1R)-1-cyclopropylethyl]-3-methyl-1,2,4-oxadiazole?
The InChIKey is CKCGEMXRHOTCOI-RXMQYKEDSA-N. The full InChI is InChI=1S/C8H12N2O/c1-5(7-3-4-7)8-9-6(2)10-11-8/h5,7H,3-4H2,1-2H3/t5-/m1/s1.
What are the key properties of 5-[(1R)-1-cyclopropylethyl]-3-methyl-1,2,4-oxadiazole?
5-[(1R)-1-cyclopropylethyl]-3-methyl-1,2,4-oxadiazole has a molecular weight of 152.20 g/mol, XLogP of 1.89, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1R)-1-cyclopropylethyl]-3-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 89185724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).