3-(3-azabicyclo[3.1.0]hexan-6-yl)-5-(difluoromethyl)-4-methyl-1,2-oxazole

C10H12F2N2O — CID 167524477

IUPAC3-(3-azabicyclo[3.1.0]hexan-6-yl)-5-(difluoromethyl)-4-methyl-1,2-oxazole
SMILESCc1c(C2C3CNCC32)noc1C(F)F
InChIInChI=1S/C10H12F2N2O/c1-4-8(14-15-9(4)10(11)12)7-5-2-13-3-6(5)7/h5-7,10,13H,2-3H2,1H3
InChIKeySKUULSFBEULMLZ-UHFFFAOYSA-N
MW214.21 g/mol
LogP1.85
Rot. Bonds2

About 3-(3-azabicyclo[3.1.0]hexan-6-yl)-5-(difluoromethyl)-4-methyl-1,2-oxazole

3-(3-azabicyclo[3.1.0]hexan-6-yl)-5-(difluoromethyl)-4-methyl-1,2-oxazole (PubChem CID 167524477) has the molecular formula C10H12F2N2O and a molecular weight of 214.21 g/mol. Its IUPAC name is 3-(3-azabicyclo[3.1.0]hexan-6-yl)-5-(difluoromethyl)-4-methyl-1,2-oxazole.

Molecular Properties

Compound Name3-(3-azabicyclo[3.1.0]hexan-6-yl)-5-(difluoromethyl)-4-methyl-1,2-oxazole
PubChem CID167524477
Molecular FormulaC10H12F2N2O
Molecular Weight214.21 g/mol
Exact Mass214.09
IUPAC Name3-(3-azabicyclo[3.1.0]hexan-6-yl)-5-(difluoromethyl)-4-methyl-1,2-oxazole
SMILESCc1c(C2C3CNCC32)noc1C(F)F
InChIInChI=1S/C10H12F2N2O/c1-4-8(14-15-9(4)10(11)12)7-5-2-13-3-6(5)7/h5-7,10,13H,2-3H2,1H3
InChIKeySKUULSFBEULMLZ-UHFFFAOYSA-N
XLogP1.85
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.21
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-Ethyl-5-methyl-4-(pyrrolidin-2-yl)-1,2-oxazole
CID 25248268
3-(3-Azabicyclo[3.1.0]hexan-1-yl)-5-(trifluoromethyl)isoxazole
CID 71250531
3-(3-Azabicyclo[3.1.0]hexan-1-yl)-4-methyl-5-(trifluoromethyl)-1,2-oxazole
CID 71250535
5-Cyclopropyl-3-(4,4-difluorocyclohexyl)-4-methyl-1,2-oxazole
CID 134400416
3-(3-Azabicyclo[3.1.0]hexan-1-yl)-5-(trifluoromethyl)-1,2-oxazole;ethane;methane
CID 144520171
3-(3-Azabicyclo[3.1.0]hexan-1-yl)-5-(trifluoromethyl)isoxazole hydrochloride
CID 155894634
3-(3-Azabicyclo[3.1.0]hexan-1-yl)-5-(1,1-difluoroethyl)-1,2-oxazole
CID 156077288
3-(3-Azabicyclo[3.1.0]hexan-1-yl)-4-methyl-5-(trifluoromethyl)-1,2-oxazole;hydrochloride
CID 162307641
Tert-butyl 6-[5-(difluoromethyl)-4-methyl-1,2-oxazol-3-yl]-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 166520506
[6-[5-(Difluoromethyl)-4-methyl-1,2-oxazol-3-yl]-3-azabicyclo[3.1.0]hexan-1-yl] 2,2,2-trifluoroacetate
CID 168860960
3-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-5-(difluoromethyl)-4-methyl-1,2-oxazole
CID 169736276
3-[(1R,5R)-3-azabicyclo[3.1.0]hexan-1-yl]-5-(trifluoromethyl)-1,2-oxazole;hydrochloride
CID 170959629

Frequently Asked Questions

What is the IUPAC name of 3-(3-azabicyclo[3.1.0]hexan-6-yl)-5-(difluoromethyl)-4-methyl-1,2-oxazole?
The IUPAC name of 3-(3-azabicyclo[3.1.0]hexan-6-yl)-5-(difluoromethyl)-4-methyl-1,2-oxazole (CID 167524477) is 3-(3-azabicyclo[3.1.0]hexan-6-yl)-5-(difluoromethyl)-4-methyl-1,2-oxazole.
What is the SMILES notation for 3-(3-azabicyclo[3.1.0]hexan-6-yl)-5-(difluoromethyl)-4-methyl-1,2-oxazole?
The canonical SMILES for 3-(3-azabicyclo[3.1.0]hexan-6-yl)-5-(difluoromethyl)-4-methyl-1,2-oxazole is Cc1c(C2C3CNCC32)noc1C(F)F.
What is the InChIKey of 3-(3-azabicyclo[3.1.0]hexan-6-yl)-5-(difluoromethyl)-4-methyl-1,2-oxazole?
The InChIKey is SKUULSFBEULMLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2N2O/c1-4-8(14-15-9(4)10(11)12)7-5-2-13-3-6(5)7/h5-7,10,13H,2-3H2,1H3.
What are the key properties of 3-(3-azabicyclo[3.1.0]hexan-6-yl)-5-(difluoromethyl)-4-methyl-1,2-oxazole?
3-(3-azabicyclo[3.1.0]hexan-6-yl)-5-(difluoromethyl)-4-methyl-1,2-oxazole has a molecular weight of 214.21 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-azabicyclo[3.1.0]hexan-6-yl)-5-(difluoromethyl)-4-methyl-1,2-oxazole is sourced from PubChem (CID 167524477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).