5-methyl-4-(trifluoromethyl)-1,3-oxazole

C5H4F3NO — CID 162609715

IUPAC5-methyl-4-(trifluoromethyl)-1,3-oxazole
SMILESCc1ocnc1C(F)(F)F
InChIInChI=1S/C5H4F3NO/c1-3-4(5(6,7)8)9-2-10-3/h2H,1H3
InChIKeyXRPCCQPIOFCSMZ-UHFFFAOYSA-N
MW151.09 g/mol
LogP2.00
Rot. Bonds

About 5-methyl-4-(trifluoromethyl)-1,3-oxazole

5-methyl-4-(trifluoromethyl)-1,3-oxazole (PubChem CID 162609715) has the molecular formula C5H4F3NO and a molecular weight of 151.09 g/mol. Its IUPAC name is 5-methyl-4-(trifluoromethyl)-1,3-oxazole.

Molecular Properties

Compound Name5-methyl-4-(trifluoromethyl)-1,3-oxazole
PubChem CID162609715
Molecular FormulaC5H4F3NO
Molecular Weight151.09 g/mol
Exact Mass151.02
IUPAC Name5-methyl-4-(trifluoromethyl)-1,3-oxazole
SMILESCc1ocnc1C(F)(F)F
InChIInChI=1S/C5H4F3NO/c1-3-4(5(6,7)8)9-2-10-3/h2H,1H3
InChIKeyXRPCCQPIOFCSMZ-UHFFFAOYSA-N
XLogP2.00
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.09
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4,5-Dimethyloxazole
CID 30214
4-Methyloxazole-5-carbonitrile
CID 70480
Oxazole, 4-(chloromethyl)-5-methyl-
CID 18982975
4-(Chloromethyl)-5-(trifluoromethyl)-1,3-oxazole
CID 126971910
4-(Chloromethyl)-5-(difluoromethyl)-1,3-oxazole
CID 137699011
(5-(Difluoromethyl)-1,3-oxazol-4-yl)methanesulfonyl chloride
CID 137945164
5-(Chloromethyl)-4-methyl-1,3-oxazole
CID 205485
5-Methyl-1,3-oxazole-4-carbonitrile
CID 67291675
5-(Difluoromethyl)-4-ethynyl-1,3-oxazole
CID 146050177
Methyl 3-(4-methyl-1,3-oxazol-5-yl)prop-2-ynoate
CID 165461759
4-(Azidomethyl)-5-(difluoromethyl)-1,3-oxazole
CID 137943011
4-Methyl-5-(trifluoromethyl)-1,3-oxazole
CID 54234857

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-(trifluoromethyl)-1,3-oxazole?
The IUPAC name of 5-methyl-4-(trifluoromethyl)-1,3-oxazole (CID 162609715) is 5-methyl-4-(trifluoromethyl)-1,3-oxazole.
What is the SMILES notation for 5-methyl-4-(trifluoromethyl)-1,3-oxazole?
The canonical SMILES for 5-methyl-4-(trifluoromethyl)-1,3-oxazole is Cc1ocnc1C(F)(F)F.
What is the InChIKey of 5-methyl-4-(trifluoromethyl)-1,3-oxazole?
The InChIKey is XRPCCQPIOFCSMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F3NO/c1-3-4(5(6,7)8)9-2-10-3/h2H,1H3.
What are the key properties of 5-methyl-4-(trifluoromethyl)-1,3-oxazole?
5-methyl-4-(trifluoromethyl)-1,3-oxazole has a molecular weight of 151.09 g/mol, XLogP of 2.00, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-(trifluoromethyl)-1,3-oxazole is sourced from PubChem (CID 162609715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).