3-methyl-5-(trifluoromethyl)-4,5-dihydro-1,2-oxazole

C5H6F3NO — CID 59168906

IUPAC3-methyl-5-(trifluoromethyl)-4,5-dihydro-1,2-oxazole
SMILESCC1=NOC(C(F)(F)F)C1
InChIInChI=1S/C5H6F3NO/c1-3-2-4(10-9-3)5(6,7)8/h4H,2H2,1H3
InChIKeyZFMVDDUMNGGHQN-UHFFFAOYSA-N
MW153.10 g/mol
LogP1.71
Rot. Bonds

About 3-methyl-5-(trifluoromethyl)-4,5-dihydro-1,2-oxazole

3-methyl-5-(trifluoromethyl)-4,5-dihydro-1,2-oxazole (PubChem CID 59168906) has the molecular formula C5H6F3NO and a molecular weight of 153.10 g/mol. Its IUPAC name is 3-methyl-5-(trifluoromethyl)-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name3-methyl-5-(trifluoromethyl)-4,5-dihydro-1,2-oxazole
PubChem CID59168906
Molecular FormulaC5H6F3NO
Molecular Weight153.10 g/mol
Exact Mass153.04
IUPAC Name3-methyl-5-(trifluoromethyl)-4,5-dihydro-1,2-oxazole
SMILESCC1=NOC(C(F)(F)F)C1
InChIInChI=1S/C5H6F3NO/c1-3-2-4(10-9-3)5(6,7)8/h4H,2H2,1H3
InChIKeyZFMVDDUMNGGHQN-UHFFFAOYSA-N
XLogP1.71
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.10
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Trifluoromethylisoxazoline
CID 19872269
3,5-Dimethyl-4,5-dihydro-1,2-oxazole
CID 12228202
5-Methyl-3-(trifluoromethyl)-4,5-dihydro-1,2-oxazole
CID 20691962
3-methyl-6-(trifluoromethyl)-5,6-dihydro-4H-oxazine
CID 58815448
3-(Fluoromethyl)-5-(trifluoromethyl)-4,5-dihydroisoxazole
CID 71663143
(5S)-5-(fluoromethyl)-3-methyl-4,5-dihydro-1,2-oxazole
CID 89225275
3-Ethyl-5-(trifluoromethyl)-4,5-dihydro-1,2-oxazole
CID 117837233
(5S)-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1,2-oxazole
CID 142079595
5-(Difluoromethyl)-3-methyl-4,5-dihydro-1,2-oxazole
CID 142566225
5-(Fluoromethyl)-3-methyl-4,5-dihydro-1,2-oxazole
CID 142566381
2,2-Difluoropropane;3-methyl-4,5-dihydro-1,2-oxazole
CID 145548102
3-(Difluoromethyl)-4,5-dihydro-1,2-oxazole
CID 145548108

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(trifluoromethyl)-4,5-dihydro-1,2-oxazole?
The IUPAC name of 3-methyl-5-(trifluoromethyl)-4,5-dihydro-1,2-oxazole (CID 59168906) is 3-methyl-5-(trifluoromethyl)-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for 3-methyl-5-(trifluoromethyl)-4,5-dihydro-1,2-oxazole?
The canonical SMILES for 3-methyl-5-(trifluoromethyl)-4,5-dihydro-1,2-oxazole is CC1=NOC(C(F)(F)F)C1.
What is the InChIKey of 3-methyl-5-(trifluoromethyl)-4,5-dihydro-1,2-oxazole?
The InChIKey is ZFMVDDUMNGGHQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F3NO/c1-3-2-4(10-9-3)5(6,7)8/h4H,2H2,1H3.
What are the key properties of 3-methyl-5-(trifluoromethyl)-4,5-dihydro-1,2-oxazole?
3-methyl-5-(trifluoromethyl)-4,5-dihydro-1,2-oxazole has a molecular weight of 153.10 g/mol, XLogP of 1.71, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(trifluoromethyl)-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 59168906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).