3-cyclopropyl-5-(difluoromethyl)-1,2,4-oxadiazole

C6H6F2N2O — CID 130649646

IUPAC3-cyclopropyl-5-(difluoromethyl)-1,2,4-oxadiazole
SMILESFC(F)c1nc(C2CC2)no1
InChIInChI=1S/C6H6F2N2O/c7-4(8)6-9-5(10-11-6)3-1-2-3/h3-4H,1-2H2
InChIKeyRTMSFWMKFBBKFD-UHFFFAOYSA-N
MW160.12 g/mol
LogP1.88
Rot. Bonds2

About 3-cyclopropyl-5-(difluoromethyl)-1,2,4-oxadiazole

3-cyclopropyl-5-(difluoromethyl)-1,2,4-oxadiazole (PubChem CID 130649646) has the molecular formula C6H6F2N2O and a molecular weight of 160.12 g/mol. Its IUPAC name is 3-cyclopropyl-5-(difluoromethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-cyclopropyl-5-(difluoromethyl)-1,2,4-oxadiazole
PubChem CID130649646
Molecular FormulaC6H6F2N2O
Molecular Weight160.12 g/mol
Exact Mass160.04
IUPAC Name3-cyclopropyl-5-(difluoromethyl)-1,2,4-oxadiazole
SMILESFC(F)c1nc(C2CC2)no1
InChIInChI=1S/C6H6F2N2O/c7-4(8)6-9-5(10-11-6)3-1-2-3/h3-4H,1-2H2
InChIKeyRTMSFWMKFBBKFD-UHFFFAOYSA-N
XLogP1.88
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.12
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(difluoromethyl)-3-piperidin-4-yl-1,2,4-oxadiazole;hydrochloride
CID 86812269
3-cyclopropyl-5-[(2S)-3,3-dimethylbutan-2-yl]-1,2,4-oxadiazole
CID 58051730
3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butan-2-ol
CID 63346025
(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N,2-dimethylpropan-1-amine
CID 59361300
(1S)-1-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 66263723
1-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-2-methylpropan-1-amine
CID 64981709
(1R)-1-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)ethanamine
CID 104880933
1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methoxyethanamine
CID 81077764
2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methoxyethanamine
CID 106109161
3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-ethylbutan-2-amine
CID 63347961
2-[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 65425586
3-cyclopropyl-5-[(1S)-1-(4-methylpiperidin-1-yl)ethyl]-1,2,4-oxadiazole
CID 94383023

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-(difluoromethyl)-1,2,4-oxadiazole?
The IUPAC name of 3-cyclopropyl-5-(difluoromethyl)-1,2,4-oxadiazole (CID 130649646) is 3-cyclopropyl-5-(difluoromethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-cyclopropyl-5-(difluoromethyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-cyclopropyl-5-(difluoromethyl)-1,2,4-oxadiazole is FC(F)c1nc(C2CC2)no1.
What is the InChIKey of 3-cyclopropyl-5-(difluoromethyl)-1,2,4-oxadiazole?
The InChIKey is RTMSFWMKFBBKFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F2N2O/c7-4(8)6-9-5(10-11-6)3-1-2-3/h3-4H,1-2H2.
What are the key properties of 3-cyclopropyl-5-(difluoromethyl)-1,2,4-oxadiazole?
3-cyclopropyl-5-(difluoromethyl)-1,2,4-oxadiazole has a molecular weight of 160.12 g/mol, XLogP of 1.88, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-(difluoromethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 130649646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).