5-(difluoromethyl)-3-propan-2-yl-1,2-oxazole;5-(difluoromethyl)-4-propan-2-yl-1,3-oxazole;3-(1-fluoroethyl)-5-propan-2-yl-1,2-oxazole;3-methyl-5-propan-2-yl-1,2-oxazole;bis(5-methyl-4-propan-2-yl-1,3-oxazole);3-propan-2-yl-5-(trifluoromethyl)-1,2-oxazole;5-propan-2-yl-3-(trifluoromethyl)-1,2-oxazole

C57H79F11N8O8 — CID 165033333

IUPAC5-(difluoromethyl)-3-propan-2-yl-1,2-oxazole;5-(difluoromethyl)-4-propan-2-yl-1,3-oxazole;3-(1-fluoroethyl)-5-propan-2-yl-1,2-oxazole;3-methyl-5-propan-2-yl-1,2-oxazole;bis(5-methyl-4-propan-2-yl-1,3-oxazole);3-propan-2-yl-5-(trifluoromethyl)-1,2-oxazole;5-propan-2-yl-3-(trifluoromethyl)-1,2-oxazole
SMILESCC(C)c1cc(C(C)F)no1.CC(C)c1cc(C(F)(F)F)no1.CC(C)c1cc(C(F)(F)F)on1.CC(C)c1cc(C(F)F)on1.CC(C)c1ncoc1C(F)F.Cc1cc(C(C)C)on1.Cc1ocnc1C(C)C.Cc1ocnc1C(C)C
InChIInChI=1S/C8H12FNO.2C7H8F3NO.2C7H9F2NO.3C7H11NO/c1-5(2)8-4-7(6(3)9)10-11-8;1-4(2)5-3-6(11-12-5)7(8,9)10;1-4(2)5-3-6(12-11-5)7(8,9)10;1-4(2)5-6(7(8)9)11-3-10-5;1-4(2)5-3-6(7(8)9)11-10-5;2*1-5(2)7-6(3)9-4-8-7;1-5(2)7-4-6(3)8-9-7/h4-6H,1-3H3;2*3-4H,1-2H3;2*3-4,7H,1-2H3;3*4-5H,1-3H3
InChIKeyMZRXBGVPKBGJLE-UHFFFAOYSA-N
MW1213.28 g/mol
LogP20.25
Rot. Bonds11

About 5-(difluoromethyl)-3-propan-2-yl-1,2-oxazole;5-(difluoromethyl)-4-propan-2-yl-1,3-oxazole;3-(1-fluoroethyl)-5-propan-2-yl-1,2-oxazole;3-methyl-5-propan-2-yl-1,2-oxazole;bis(5-methyl-4-propan-2-yl-1,3-oxazole);3-propan-2-yl-5-(trifluoromethyl)-1,2-oxazole;5-propan-2-yl-3-(trifluoromethyl)-1,2-oxazole

5-(difluoromethyl)-3-propan-2-yl-1,2-oxazole;5-(difluoromethyl)-4-propan-2-yl-1,3-oxazole;3-(1-fluoroethyl)-5-propan-2-yl-1,2-oxazole;3-methyl-5-propan-2-yl-1,2-oxazole;bis(5-methyl-4-propan-2-yl-1,3-oxazole);3-propan-2-yl-5-(trifluoromethyl)-1,2-oxazole;5-propan-2-yl-3-(trifluoromethyl)-1,2-oxazole (PubChem CID 165033333) has the molecular formula C57H79F11N8O8 and a molecular weight of 1213.28 g/mol. Its IUPAC name is 5-(difluoromethyl)-3-propan-2-yl-1,2-oxazole;5-(difluoromethyl)-4-propan-2-yl-1,3-oxazole;3-(1-fluoroethyl)-5-propan-2-yl-1,2-oxazole;3-methyl-5-propan-2-yl-1,2-oxazole;bis(5-methyl-4-propan-2-yl-1,3-oxazole);3-propan-2-yl-5-(trifluoromethyl)-1,2-oxazole;5-propan-2-yl-3-(trifluoromethyl)-1,2-oxazole.

Molecular Properties

Compound Name5-(difluoromethyl)-3-propan-2-yl-1,2-oxazole;5-(difluoromethyl)-4-propan-2-yl-1,3-oxazole;3-(1-fluoroethyl)-5-propan-2-yl-1,2-oxazole;3-methyl-5-propan-2-yl-1,2-oxazole;bis(5-methyl-4-propan-2-yl-1,3-oxazole);3-propan-2-yl-5-(trifluoromethyl)-1,2-oxazole;5-propan-2-yl-3-(trifluoromethyl)-1,2-oxazole
PubChem CID165033333
Molecular FormulaC57H79F11N8O8
Molecular Weight1213.28 g/mol
Exact Mass1212.58
IUPAC Name5-(difluoromethyl)-3-propan-2-yl-1,2-oxazole;5-(difluoromethyl)-4-propan-2-yl-1,3-oxazole;3-(1-fluoroethyl)-5-propan-2-yl-1,2-oxazole;3-methyl-5-propan-2-yl-1,2-oxazole;bis(5-methyl-4-propan-2-yl-1,3-oxazole);3-propan-2-yl-5-(trifluoromethyl)-1,2-oxazole;5-propan-2-yl-3-(trifluoromethyl)-1,2-oxazole
SMILESCC(C)c1cc(C(C)F)no1.CC(C)c1cc(C(F)(F)F)no1.CC(C)c1cc(C(F)(F)F)on1.CC(C)c1cc(C(F)F)on1.CC(C)c1ncoc1C(F)F.Cc1cc(C(C)C)on1.Cc1ocnc1C(C)C.Cc1ocnc1C(C)C
InChIInChI=1S/C8H12FNO.2C7H8F3NO.2C7H9F2NO.3C7H11NO/c1-5(2)8-4-7(6(3)9)10-11-8;1-4(2)5-3-6(11-12-5)7(8,9)10;1-4(2)5-3-6(12-11-5)7(8,9)10;1-4(2)5-6(7(8)9)11-3-10-5;1-4(2)5-3-6(7(8)9)11-10-5;2*1-5(2)7-6(3)9-4-8-7;1-5(2)7-4-6(3)8-9-7/h4-6H,1-3H3;2*3-4H,1-2H3;2*3-4,7H,1-2H3;3*4-5H,1-3H3
InChIKeyMZRXBGVPKBGJLE-UHFFFAOYSA-N
XLogP20.25
TPSA208.24 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds11
Heavy Atoms84
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001213.28
LogP ≤ 520.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Analyze 5-(difluoromethyl)-3-propan-2-yl-1,2-oxazole;5-(difluoromethyl)-4-propan-2-yl-1,3-oxazole;3-(1-fluoroethyl)-5-propan-2-yl-1,2-oxazole;3-methyl-5-propan-2-yl-1,2-oxazole;bis(5-methyl-4-propan-2-yl-1,3-oxazole);3-propan-2-yl-5-(trifluoromethyl)-1,2-oxazole;5-propan-2-yl-3-(trifluoromethyl)-1,2-oxazole with MolForge

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Launch Full Analysis

Related Compounds

2-tert-butyl-4,4-dimethyl-5H-1,3-oxazole;2-tert-butyl-4-methyl-4,5-dihydro-1,3-oxazole;2-tert-butyl-5-methyl-4,5-dihydro-1,3-oxazole;3-tert-butyl-5-methyl-4,5-dihydro-1,2-oxazole;2-tert-butyl-4-methyl-1,3-oxazole;2-tert-butyl-5-methyl-1,3-oxazole;3-tert-butyl-4-methyl-1,2-oxazole;3-tert-butyl-5-methyl-1,2-oxazole;5-tert-butyl-3-methyl-1,2-oxazole
CID 157343900
2,4-Ditert-butyl-1,3-oxazole;2,5-ditert-butyl-1,3-oxazole;3,4-ditert-butyl-1,2-oxazole;3,5-ditert-butyl-1,2-oxazole;4,5-ditert-butyl-1,2-oxazole;4,5-ditert-butyl-1,3-oxazole
CID 157921630
Ethane;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole
CID 158028114
Ethane;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole
CID 160342206
2-tert-butyl-4,4-dimethyl-5H-1,3-oxazole;3-tert-butyl-4,5-dimethyl-1,2-oxazole;2-tert-butyl-4-methyl-4,5-dihydro-1,3-oxazole;2-tert-butyl-5-methyl-4,5-dihydro-1,3-oxazole;3-tert-butyl-5-methyl-4,5-dihydro-1,2-oxazole;2-tert-butyl-4-methyl-1,3-oxazole;2-tert-butyl-5-methyl-1,3-oxazole;3-tert-butyl-5-methyl-1,2-oxazole;5-tert-butyl-3-methyl-1,2-oxazole
CID 160349549
2-tert-butyl-4,4-dimethyl-5H-1,3-oxazole;2-tert-butyl-4-methyl-4,5-dihydro-1,3-oxazole;2-tert-butyl-5-methyl-4,5-dihydro-1,3-oxazole;3-tert-butyl-5-methyl-4,5-dihydro-1,2-oxazole;bis(2-tert-butyl-4-methyl-1,3-oxazole);2-tert-butyl-5-methyl-1,3-oxazole;3-tert-butyl-4-methyl-1,2-oxazole;3-tert-butyl-5-methyl-1,2-oxazole
CID 161005638
2,5-Ditert-butyl-1,3-oxazole;3,4-ditert-butyl-1,2-oxazole;3,5-ditert-butyl-1,2-oxazole;4,5-ditert-butyl-1,2-oxazole;4,5-ditert-butyl-1,3-oxazole;2,4-ditert-butyl-1,2-oxazol-2-ium
CID 161212284
2-(2,2-Dimethylpropyl)-4-methyl-1,3-oxazole;2-(2,2-dimethylpropyl)-5-methyl-1,3-oxazole;3-(2,2-dimethylpropyl)-5-methyl-1,2-oxazole;5-(2,2-dimethylpropyl)-3-methyl-1,2-oxazole
CID 161408987
5-Butan-2-yl-1,2-oxazole;ethane;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole
CID 161692301
4-(2,2-Dimethylpropyl)-3,5-dimethyl-1,2-oxazole;2-(2,2-dimethylpropyl)-5-methyl-1,3-oxazole;3-(2,2-dimethylpropyl)-4-methyl-1,2-oxazole;3-(2,2-dimethylpropyl)-5-methyl-1,2-oxazole;4-(2,2-dimethylpropyl)-2-methyl-1,3-oxazole;5-(2,2-dimethylpropyl)-2-methyl-1,3-oxazole;5-(2,2-dimethylpropyl)-3-methyl-1,2-oxazole;3-(2,2-dimethylpropyl)-1,2-oxazole;4-(2,2-dimethylpropyl)-1,3-oxazole;5-(2,2-dimethylpropyl)-1,2-oxazole
CID 161991091
2-tert-butyl-4,4-dimethyl-5H-1,3-oxazole;2-tert-butyl-4-methyl-4,5-dihydro-1,3-oxazole;2-tert-butyl-5-methyl-4,5-dihydro-1,3-oxazole;3-tert-butyl-5-methyl-4,5-dihydro-1,2-oxazole;2-tert-butyl-4-methyl-1,3-oxazole;2-tert-butyl-5-methyl-1,3-oxazole;3-tert-butyl-4-methyl-1,2-oxazole;3-tert-butyl-5-methyl-1,2-oxazole;5-tert-butyl-3-methyl-1,2-oxazole;methane
CID 167552332

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-3-propan-2-yl-1,2-oxazole;5-(difluoromethyl)-4-propan-2-yl-1,3-oxazole;3-(1-fluoroethyl)-5-propan-2-yl-1,2-oxazole;3-methyl-5-propan-2-yl-1,2-oxazole;bis(5-methyl-4-propan-2-yl-1,3-oxazole);3-propan-2-yl-5-(trifluoromethyl)-1,2-oxazole;5-propan-2-yl-3-(trifluoromethyl)-1,2-oxazole?
The IUPAC name of 5-(difluoromethyl)-3-propan-2-yl-1,2-oxazole;5-(difluoromethyl)-4-propan-2-yl-1,3-oxazole;3-(1-fluoroethyl)-5-propan-2-yl-1,2-oxazole;3-methyl-5-propan-2-yl-1,2-oxazole;bis(5-methyl-4-propan-2-yl-1,3-oxazole);3-propan-2-yl-5-(trifluoromethyl)-1,2-oxazole;5-propan-2-yl-3-(trifluoromethyl)-1,2-oxazole (CID 165033333) is 5-(difluoromethyl)-3-propan-2-yl-1,2-oxazole;5-(difluoromethyl)-4-propan-2-yl-1,3-oxazole;3-(1-fluoroethyl)-5-propan-2-yl-1,2-oxazole;3-methyl-5-propan-2-yl-1,2-oxazole;bis(5-methyl-4-propan-2-yl-1,3-oxazole);3-propan-2-yl-5-(trifluoromethyl)-1,2-oxazole;5-propan-2-yl-3-(trifluoromethyl)-1,2-oxazole.
What is the SMILES notation for 5-(difluoromethyl)-3-propan-2-yl-1,2-oxazole;5-(difluoromethyl)-4-propan-2-yl-1,3-oxazole;3-(1-fluoroethyl)-5-propan-2-yl-1,2-oxazole;3-methyl-5-propan-2-yl-1,2-oxazole;bis(5-methyl-4-propan-2-yl-1,3-oxazole);3-propan-2-yl-5-(trifluoromethyl)-1,2-oxazole;5-propan-2-yl-3-(trifluoromethyl)-1,2-oxazole?
The canonical SMILES for 5-(difluoromethyl)-3-propan-2-yl-1,2-oxazole;5-(difluoromethyl)-4-propan-2-yl-1,3-oxazole;3-(1-fluoroethyl)-5-propan-2-yl-1,2-oxazole;3-methyl-5-propan-2-yl-1,2-oxazole;bis(5-methyl-4-propan-2-yl-1,3-oxazole);3-propan-2-yl-5-(trifluoromethyl)-1,2-oxazole;5-propan-2-yl-3-(trifluoromethyl)-1,2-oxazole is CC(C)c1cc(C(C)F)no1.CC(C)c1cc(C(F)(F)F)no1.CC(C)c1cc(C(F)(F)F)on1.CC(C)c1cc(C(F)F)on1.CC(C)c1ncoc1C(F)F.Cc1cc(C(C)C)on1.Cc1ocnc1C(C)C.Cc1ocnc1C(C)C.
What is the InChIKey of 5-(difluoromethyl)-3-propan-2-yl-1,2-oxazole;5-(difluoromethyl)-4-propan-2-yl-1,3-oxazole;3-(1-fluoroethyl)-5-propan-2-yl-1,2-oxazole;3-methyl-5-propan-2-yl-1,2-oxazole;bis(5-methyl-4-propan-2-yl-1,3-oxazole);3-propan-2-yl-5-(trifluoromethyl)-1,2-oxazole;5-propan-2-yl-3-(trifluoromethyl)-1,2-oxazole?
The InChIKey is MZRXBGVPKBGJLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FNO.2C7H8F3NO.2C7H9F2NO.3C7H11NO/c1-5(2)8-4-7(6(3)9)10-11-8;1-4(2)5-3-6(11-12-5)7(8,9)10;1-4(2)5-3-6(12-11-5)7(8,9)10;1-4(2)5-6(7(8)9)11-3-10-5;1-4(2)5-3-6(7(8)9)11-10-5;2*1-5(2)7-6(3)9-4-8-7;1-5(2)7-4-6(3)8-9-7/h4-6H,1-3H3;2*3-4H,1-2H3;2*3-4,7H,1-2H3;3*4-5H,1-3H3.
What are the key properties of 5-(difluoromethyl)-3-propan-2-yl-1,2-oxazole;5-(difluoromethyl)-4-propan-2-yl-1,3-oxazole;3-(1-fluoroethyl)-5-propan-2-yl-1,2-oxazole;3-methyl-5-propan-2-yl-1,2-oxazole;bis(5-methyl-4-propan-2-yl-1,3-oxazole);3-propan-2-yl-5-(trifluoromethyl)-1,2-oxazole;5-propan-2-yl-3-(trifluoromethyl)-1,2-oxazole?
5-(difluoromethyl)-3-propan-2-yl-1,2-oxazole;5-(difluoromethyl)-4-propan-2-yl-1,3-oxazole;3-(1-fluoroethyl)-5-propan-2-yl-1,2-oxazole;3-methyl-5-propan-2-yl-1,2-oxazole;bis(5-methyl-4-propan-2-yl-1,3-oxazole);3-propan-2-yl-5-(trifluoromethyl)-1,2-oxazole;5-propan-2-yl-3-(trifluoromethyl)-1,2-oxazole has a molecular weight of 1213.28 g/mol, XLogP of 20.25, 11 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-3-propan-2-yl-1,2-oxazole;5-(difluoromethyl)-4-propan-2-yl-1,3-oxazole;3-(1-fluoroethyl)-5-propan-2-yl-1,2-oxazole;3-methyl-5-propan-2-yl-1,2-oxazole;bis(5-methyl-4-propan-2-yl-1,3-oxazole);3-propan-2-yl-5-(trifluoromethyl)-1,2-oxazole;5-propan-2-yl-3-(trifluoromethyl)-1,2-oxazole is sourced from PubChem (CID 165033333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).