4-(difluoromethyl)-5-methyl-2-propan-2-yl-1,3-oxazole

C8H11F2NO — CID 170382676

IUPAC4-(difluoromethyl)-5-methyl-2-propan-2-yl-1,3-oxazole
SMILESCc1oc(C(C)C)nc1C(F)F
InChIInChI=1S/C8H11F2NO/c1-4(2)8-11-6(7(9)10)5(3)12-8/h4,7H,1-3H3
InChIKeyUVOKGDHDZFXOQW-UHFFFAOYSA-N
MW175.18 g/mol
LogP3.04
Rot. Bonds2

About 4-(difluoromethyl)-5-methyl-2-propan-2-yl-1,3-oxazole

4-(difluoromethyl)-5-methyl-2-propan-2-yl-1,3-oxazole (PubChem CID 170382676) has the molecular formula C8H11F2NO and a molecular weight of 175.18 g/mol. Its IUPAC name is 4-(difluoromethyl)-5-methyl-2-propan-2-yl-1,3-oxazole.

Molecular Properties

Compound Name4-(difluoromethyl)-5-methyl-2-propan-2-yl-1,3-oxazole
PubChem CID170382676
Molecular FormulaC8H11F2NO
Molecular Weight175.18 g/mol
Exact Mass175.08
IUPAC Name4-(difluoromethyl)-5-methyl-2-propan-2-yl-1,3-oxazole
SMILESCc1oc(C(C)C)nc1C(F)F
InChIInChI=1S/C8H11F2NO/c1-4(2)8-11-6(7(9)10)5(3)12-8/h4,7H,1-3H3
InChIKeyUVOKGDHDZFXOQW-UHFFFAOYSA-N
XLogP3.04
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.18
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,4,5-Trimethyloxazole
CID 30215
2-Ethyl-4,5-dimethyloxazole
CID 62069
4,5-Dimethyl-2-propyloxazole
CID 104620
2-Isobutyl-4,5-dimethyloxazole
CID 574068
2-Isopropyl-4,5-dimethyloxazole
CID 29644
2-Butyl-4,5-dimethyloxazole
CID 522807
5-Ethyl-2-isopropyl-4-methyloxazole
CID 586570
3-(4,5-Dimethyl-1,3-oxazol-2-yl)-1,1,1-trifluoropropan-2-one
CID 486289
4-(Bromomethyl)-2,5-dimethyloxazole
CID 121552302
4,5-Dimethyl-2-(trifluoromethyl)oxazole
CID 14639803
2,4-Dimethyl-5-trifluoromethyloxazole
CID 60019988
5-(Chloromethyl)-4-methyl-2-(propan-2-yl)-1,3-oxazole
CID 119031683

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-5-methyl-2-propan-2-yl-1,3-oxazole?
The IUPAC name of 4-(difluoromethyl)-5-methyl-2-propan-2-yl-1,3-oxazole (CID 170382676) is 4-(difluoromethyl)-5-methyl-2-propan-2-yl-1,3-oxazole.
What is the SMILES notation for 4-(difluoromethyl)-5-methyl-2-propan-2-yl-1,3-oxazole?
The canonical SMILES for 4-(difluoromethyl)-5-methyl-2-propan-2-yl-1,3-oxazole is Cc1oc(C(C)C)nc1C(F)F.
What is the InChIKey of 4-(difluoromethyl)-5-methyl-2-propan-2-yl-1,3-oxazole?
The InChIKey is UVOKGDHDZFXOQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2NO/c1-4(2)8-11-6(7(9)10)5(3)12-8/h4,7H,1-3H3.
What are the key properties of 4-(difluoromethyl)-5-methyl-2-propan-2-yl-1,3-oxazole?
4-(difluoromethyl)-5-methyl-2-propan-2-yl-1,3-oxazole has a molecular weight of 175.18 g/mol, XLogP of 3.04, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-5-methyl-2-propan-2-yl-1,3-oxazole is sourced from PubChem (CID 170382676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).