3-(difluoromethyl)-5-propan-2-yl-1,2,4-oxadiazole;ethane

C8H14F2N2O — CID 177328062

IUPAC3-(difluoromethyl)-5-propan-2-yl-1,2,4-oxadiazole;ethane
SMILESCC.CC(C)c1nc(C(F)F)no1
InChIInChI=1S/C6H8F2N2O.C2H6/c1-3(2)6-9-5(4(7)8)10-11-6;1-2/h3-4H,1-2H3;1-2H3
InChIKeyWXCUKKPVCQSYOR-UHFFFAOYSA-N
MW192.21 g/mol
LogP3.16
Rot. Bonds2

About 3-(difluoromethyl)-5-propan-2-yl-1,2,4-oxadiazole;ethane

3-(difluoromethyl)-5-propan-2-yl-1,2,4-oxadiazole;ethane (PubChem CID 177328062) has the molecular formula C8H14F2N2O and a molecular weight of 192.21 g/mol. Its IUPAC name is 3-(difluoromethyl)-5-propan-2-yl-1,2,4-oxadiazole;ethane.

Molecular Properties

Compound Name3-(difluoromethyl)-5-propan-2-yl-1,2,4-oxadiazole;ethane
PubChem CID177328062
Molecular FormulaC8H14F2N2O
Molecular Weight192.21 g/mol
Exact Mass192.11
IUPAC Name3-(difluoromethyl)-5-propan-2-yl-1,2,4-oxadiazole;ethane
SMILESCC.CC(C)c1nc(C(F)F)no1
InChIInChI=1S/C6H8F2N2O.C2H6/c1-3(2)6-9-5(4(7)8)10-11-6;1-2/h3-4H,1-2H3;1-2H3
InChIKeyWXCUKKPVCQSYOR-UHFFFAOYSA-N
XLogP3.16
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)butan-1-amine
CID 61319735
3-chloro-5-propan-2-yl-1,2,4-oxadiazole
CID 51000283
3-(difluoromethyl)-5-ethyl-1,2,4-oxadiazole
CID 89411819
3-(difluoromethyl)-5-(2-methyl-1-pyridin-3-ylpropyl)-1,2,4-oxadiazole
CID 167887186
5-[(2R)-butan-2-yl]-3-propan-2-yl-1,2,4-oxadiazole
CID 90326086
cyclopentyl-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methanamine
CID 62070741
2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 62676276
(4-methylphenyl)-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methanamine
CID 43559660
3-butyl-5-propan-2-yl-1,2,4-oxadiazole
CID 123624408
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
4-[amino-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-N,N-dimethylaniline
CID 43559614

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-5-propan-2-yl-1,2,4-oxadiazole;ethane?
The IUPAC name of 3-(difluoromethyl)-5-propan-2-yl-1,2,4-oxadiazole;ethane (CID 177328062) is 3-(difluoromethyl)-5-propan-2-yl-1,2,4-oxadiazole;ethane.
What is the SMILES notation for 3-(difluoromethyl)-5-propan-2-yl-1,2,4-oxadiazole;ethane?
The canonical SMILES for 3-(difluoromethyl)-5-propan-2-yl-1,2,4-oxadiazole;ethane is CC.CC(C)c1nc(C(F)F)no1.
What is the InChIKey of 3-(difluoromethyl)-5-propan-2-yl-1,2,4-oxadiazole;ethane?
The InChIKey is WXCUKKPVCQSYOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F2N2O.C2H6/c1-3(2)6-9-5(4(7)8)10-11-6;1-2/h3-4H,1-2H3;1-2H3.
What are the key properties of 3-(difluoromethyl)-5-propan-2-yl-1,2,4-oxadiazole;ethane?
3-(difluoromethyl)-5-propan-2-yl-1,2,4-oxadiazole;ethane has a molecular weight of 192.21 g/mol, XLogP of 3.16, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-5-propan-2-yl-1,2,4-oxadiazole;ethane is sourced from PubChem (CID 177328062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).