5-methyl-3-(1-methylcyclopropyl)-1,2,4-oxadiazole

C7H10N2O — CID 118264609

IUPAC5-methyl-3-(1-methylcyclopropyl)-1,2,4-oxadiazole
SMILESCc1nc(C2(C)CC2)no1
InChIInChI=1S/C7H10N2O/c1-5-8-6(9-10-5)7(2)3-4-7/h3-4H2,1-2H3
InChIKeyJGRMDTHWVKSFTN-UHFFFAOYSA-N
MW138.17 g/mol
LogP1.43
Rot. Bonds1

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

5-methyl-3-(1-methylcyclopropyl)-1,2,4-oxadiazole (PubChem CID 118264609) has the molecular formula C7H10N2O and a molecular weight of 138.17 g/mol. Its IUPAC name is 5-methyl-3-(1-methylcyclopropyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-methyl-3-(1-methylcyclopropyl)-1,2,4-oxadiazole
PubChem CID118264609
Molecular FormulaC7H10N2O
Molecular Weight138.17 g/mol
Exact Mass138.08
IUPAC Name5-methyl-3-(1-methylcyclopropyl)-1,2,4-oxadiazole
SMILESCc1nc(C2(C)CC2)no1
InChIInChI=1S/C7H10N2O/c1-5-8-6(9-10-5)7(2)3-4-7/h3-4H2,1-2H3
InChIKeyJGRMDTHWVKSFTN-UHFFFAOYSA-N
XLogP1.43
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;5-methyl-3-(3-methyloxetan-3-yl)-1,2,4-oxadiazole
CID 170704680
1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclobutan-1-ol
CID 131223804
4-[3-(1-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]oxan-4-amine
CID 115292653
2,2-difluoro-2-[3-(1-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 130600727
N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]methanesulfonamide
CID 47180721
(1S,2S)-2-methyl-1-[3-(1-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 104900251
2-methyl-3-[3-(1-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]propanenitrile
CID 106525935
2-methoxy-2-[3-(1-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 106109316
2-[3-(1-methylcyclobutyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 115015955
N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]cyclopentanecarboxamide
CID 35781179
1-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3-dihydroinden-1-amine
CID 43559220
5-[(3-methylazetidin-3-yl)oxymethyl]-3-(1-methylcyclopropyl)-1,2,4-oxadiazole
CID 102655553

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(1-methylcyclopropyl)-1,2,4-oxadiazole?
The IUPAC name of 5-methyl-3-(1-methylcyclopropyl)-1,2,4-oxadiazole (CID 118264609) is 5-methyl-3-(1-methylcyclopropyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-methyl-3-(1-methylcyclopropyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-methyl-3-(1-methylcyclopropyl)-1,2,4-oxadiazole is Cc1nc(C2(C)CC2)no1.
What is the InChIKey of 5-methyl-3-(1-methylcyclopropyl)-1,2,4-oxadiazole?
The InChIKey is JGRMDTHWVKSFTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O/c1-5-8-6(9-10-5)7(2)3-4-7/h3-4H2,1-2H3.
What are the key properties of 5-methyl-3-(1-methylcyclopropyl)-1,2,4-oxadiazole?
5-methyl-3-(1-methylcyclopropyl)-1,2,4-oxadiazole has a molecular weight of 138.17 g/mol, XLogP of 1.43, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(1-methylcyclopropyl)-1,2,4-oxadiazole is sourced from PubChem (CID 118264609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).