5-[3,5-bis(trifluoromethyl)phenyl]-2,4-dimethyl-4,5-dihydro-1,3-oxazole

C13H11F6NO — CID 123451604

IUPAC5-[3,5-bis(trifluoromethyl)phenyl]-2,4-dimethyl-4,5-dihydro-1,3-oxazole
SMILESCC1=NC(C)C(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)O1
InChIInChI=1S/C13H11F6NO/c1-6-11(21-7(2)20-6)8-3-9(12(14,15)16)5-10(4-8)13(17,18)19/h3-6,11H,1-2H3
InChIKeyMUXXMGKVPCIKOD-UHFFFAOYSA-N
MW311.23 g/mol
LogP4.60
Rot. Bonds1

About 5-[3,5-bis(trifluoromethyl)phenyl]-2,4-dimethyl-4,5-dihydro-1,3-oxazole

5-[3,5-bis(trifluoromethyl)phenyl]-2,4-dimethyl-4,5-dihydro-1,3-oxazole (PubChem CID 123451604) has the molecular formula C13H11F6NO and a molecular weight of 311.23 g/mol. Its IUPAC name is 5-[3,5-bis(trifluoromethyl)phenyl]-2,4-dimethyl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name5-[3,5-bis(trifluoromethyl)phenyl]-2,4-dimethyl-4,5-dihydro-1,3-oxazole
PubChem CID123451604
Molecular FormulaC13H11F6NO
Molecular Weight311.23 g/mol
Exact Mass311.07
IUPAC Name5-[3,5-bis(trifluoromethyl)phenyl]-2,4-dimethyl-4,5-dihydro-1,3-oxazole
SMILESCC1=NC(C)C(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)O1
InChIInChI=1S/C13H11F6NO/c1-6-11(21-7(2)20-6)8-3-9(12(14,15)16)5-10(4-8)13(17,18)19/h3-6,11H,1-2H3
InChIKeyMUXXMGKVPCIKOD-UHFFFAOYSA-N
XLogP4.60
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.23
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4S)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
CID 118602022
(2R,5R)-2-[3,5-bis(trifluoromethyl)phenyl]-5-methyloxolane
CID 102340222
(4S)-5-[3-fluoro-5-(trifluoromethyl)phenyl]-4-methyl-1,3-oxazolidin-2-one
CID 126691968
bis[3,5-bis(trifluoromethyl)phenyl]-dimethylstannane
CID 171930237
[3,5-bis(trifluoromethyl)phenyl]-trimethylstannane
CID 14523014
2-[3,5-bis(trifluoromethyl)phenyl]-5-methylpyrrolidine
CID 144649311
1-[3-methyl-5-(trifluoromethyl)phenyl]-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-3-one
CID 123364785
5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-3-[[2-(methylamino)-5-(trifluoromethyl)-3-pyridinyl]methyl]-1,3-oxazolidin-2-one
CID 144726314
N-[[3,5-bis(trifluoromethyl)anilino]-dimethylsilyl]-3,5-bis(trifluoromethyl)aniline
CID 18328539
(4R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[[2-iodo-5-(trifluoromethyl)phenyl]methyl]-4-methyl-1,3-oxazolidin-2-one
CID 87542865
(4R)-4-(3,5-ditert-butylphenyl)-2-[6-[(4R)-4-(3,5-ditert-butylphenyl)-4,5-dihydro-1,3-oxazol-2-yl]-4-(trifluoromethyl)-2-pyridinyl]-4,5-dihydro-1,3-oxazole
CID 172907996
(4S)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-3-[[5-(trifluoromethyl)-2-(2-trimethylsilylethynyl)phenyl]methyl]-1,3-oxazolidin-2-one
CID 162607211

Frequently Asked Questions

What is the IUPAC name of 5-[3,5-bis(trifluoromethyl)phenyl]-2,4-dimethyl-4,5-dihydro-1,3-oxazole?
The IUPAC name of 5-[3,5-bis(trifluoromethyl)phenyl]-2,4-dimethyl-4,5-dihydro-1,3-oxazole (CID 123451604) is 5-[3,5-bis(trifluoromethyl)phenyl]-2,4-dimethyl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 5-[3,5-bis(trifluoromethyl)phenyl]-2,4-dimethyl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 5-[3,5-bis(trifluoromethyl)phenyl]-2,4-dimethyl-4,5-dihydro-1,3-oxazole is CC1=NC(C)C(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)O1.
What is the InChIKey of 5-[3,5-bis(trifluoromethyl)phenyl]-2,4-dimethyl-4,5-dihydro-1,3-oxazole?
The InChIKey is MUXXMGKVPCIKOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F6NO/c1-6-11(21-7(2)20-6)8-3-9(12(14,15)16)5-10(4-8)13(17,18)19/h3-6,11H,1-2H3.
What are the key properties of 5-[3,5-bis(trifluoromethyl)phenyl]-2,4-dimethyl-4,5-dihydro-1,3-oxazole?
5-[3,5-bis(trifluoromethyl)phenyl]-2,4-dimethyl-4,5-dihydro-1,3-oxazole has a molecular weight of 311.23 g/mol, XLogP of 4.60, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3,5-bis(trifluoromethyl)phenyl]-2,4-dimethyl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 123451604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).