5-tert-butyl-2,4-bis(difluoromethyl)-1,3-oxazole

C9H11F4NO — CID 149452174

IUPAC5-tert-butyl-2,4-bis(difluoromethyl)-1,3-oxazole
SMILESCC(C)(C)c1oc(C(F)F)nc1C(F)F
InChIInChI=1S/C9H11F4NO/c1-9(2,3)5-4(6(10)11)14-8(15-5)7(12)13/h6-7H,1-3H3
InChIKeyYXVXDUINDXAZIH-UHFFFAOYSA-N
MW225.19 g/mol
LogP3.85
Rot. Bonds2

About 5-tert-butyl-2,4-bis(difluoromethyl)-1,3-oxazole

5-tert-butyl-2,4-bis(difluoromethyl)-1,3-oxazole (PubChem CID 149452174) has the molecular formula C9H11F4NO and a molecular weight of 225.19 g/mol. Its IUPAC name is 5-tert-butyl-2,4-bis(difluoromethyl)-1,3-oxazole.

Molecular Properties

Compound Name5-tert-butyl-2,4-bis(difluoromethyl)-1,3-oxazole
PubChem CID149452174
Molecular FormulaC9H11F4NO
Molecular Weight225.19 g/mol
Exact Mass225.08
IUPAC Name5-tert-butyl-2,4-bis(difluoromethyl)-1,3-oxazole
SMILESCC(C)(C)c1oc(C(F)F)nc1C(F)F
InChIInChI=1S/C9H11F4NO/c1-9(2,3)5-4(6(10)11)14-8(15-5)7(12)13/h6-7H,1-3H3
InChIKeyYXVXDUINDXAZIH-UHFFFAOYSA-N
XLogP3.85
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.19
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-Butyl-5-ethyl-4-methyl-1,3-oxazole
CID 580388
4-Ethyl-5-methyl-2-(1-methylethyl)oxazole
CID 586689
5-Ethyl-2,4-dimethyloxazole
CID 525776
5-Ethyl-2-isopropyl-4-methyloxazole
CID 586570
4,5-Diethyl-2-methyloxazole
CID 57112222
4-Ethyl-5-methyl-2-propyloxazole
CID 580375
2,4,5-Triethyloxazole
CID 3016238
4-Ethyl-2-isobutyl-5-methyloxazole
CID 580607
2,5-Diethyl-4-methyloxazole
CID 579913
2,4-Diethyl-5-methyloxazole
CID 579998
4,5-Diisopropyl-2-methyloxazole
CID 20770924
4-Tert-butyl-2-methyl-5-(trifluoromethyl)-1,3-oxazole
CID 57709374

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2,4-bis(difluoromethyl)-1,3-oxazole?
The IUPAC name of 5-tert-butyl-2,4-bis(difluoromethyl)-1,3-oxazole (CID 149452174) is 5-tert-butyl-2,4-bis(difluoromethyl)-1,3-oxazole.
What is the SMILES notation for 5-tert-butyl-2,4-bis(difluoromethyl)-1,3-oxazole?
The canonical SMILES for 5-tert-butyl-2,4-bis(difluoromethyl)-1,3-oxazole is CC(C)(C)c1oc(C(F)F)nc1C(F)F.
What is the InChIKey of 5-tert-butyl-2,4-bis(difluoromethyl)-1,3-oxazole?
The InChIKey is YXVXDUINDXAZIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F4NO/c1-9(2,3)5-4(6(10)11)14-8(15-5)7(12)13/h6-7H,1-3H3.
What are the key properties of 5-tert-butyl-2,4-bis(difluoromethyl)-1,3-oxazole?
5-tert-butyl-2,4-bis(difluoromethyl)-1,3-oxazole has a molecular weight of 225.19 g/mol, XLogP of 3.85, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2,4-bis(difluoromethyl)-1,3-oxazole is sourced from PubChem (CID 149452174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).