2,5-dimethyl-1,3-oxazole;ethane;2-methyl-4-(trifluoromethyl)pyrimidine

C13H18F3N3O — CID 169248686

IUPAC2,5-dimethyl-1,3-oxazole;ethane;2-methyl-4-(trifluoromethyl)pyrimidine
SMILESCC.Cc1cnc(C)o1.Cc1nccc(C(F)(F)F)n1
InChIInChI=1S/C6H5F3N2.C5H7NO.C2H6/c1-4-10-3-2-5(11-4)6(7,8)9;1-4-3-6-5(2)7-4;1-2/h2-3H,1H3;3H,1-2H3;1-2H3
InChIKeyFMDWPYYEKWJJBK-UHFFFAOYSA-N
MW289.30 g/mol
LogP4.12
Rot. Bonds

About 2,5-dimethyl-1,3-oxazole;ethane;2-methyl-4-(trifluoromethyl)pyrimidine

2,5-dimethyl-1,3-oxazole;ethane;2-methyl-4-(trifluoromethyl)pyrimidine (PubChem CID 169248686) has the molecular formula C13H18F3N3O and a molecular weight of 289.30 g/mol. Its IUPAC name is 2,5-dimethyl-1,3-oxazole;ethane;2-methyl-4-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name2,5-dimethyl-1,3-oxazole;ethane;2-methyl-4-(trifluoromethyl)pyrimidine
PubChem CID169248686
Molecular FormulaC13H18F3N3O
Molecular Weight289.30 g/mol
Exact Mass289.14
IUPAC Name2,5-dimethyl-1,3-oxazole;ethane;2-methyl-4-(trifluoromethyl)pyrimidine
SMILESCC.Cc1cnc(C)o1.Cc1nccc(C(F)(F)F)n1
InChIInChI=1S/C6H5F3N2.C5H7NO.C2H6/c1-4-10-3-2-5(11-4)6(7,8)9;1-4-3-6-5(2)7-4;1-2/h2-3H,1H3;3H,1-2H3;1-2H3
InChIKeyFMDWPYYEKWJJBK-UHFFFAOYSA-N
XLogP4.12
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[4-[6-(Difluoromethyl)pyrimidin-4-yl]-1,4-diazepan-1-yl]methyl]-4,5-dimethyl-1,3-oxazole
CID 136568898
4-(Difluoromethyl)-5-propan-2-yl-2-pyrimidin-2-yl-1,3-oxazole
CID 169163157
4-(Difluoromethyl)-5-methyl-2-pyrimidin-2-yl-1,3-oxazole
CID 170144648
4,5-Dimethyl-2-[[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methyl]-1,3-oxazole
CID 53546250
4,5-Dimethyl-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-1,3-oxazole
CID 71943122
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 103623952
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 103718664
5-fluoro-6-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidin-4-amine
CID 103736690
N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 103946638
5-fluoro-6-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyrimidin-4-amine
CID 103946693
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 104969953
2-chloro-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 106375429

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1,3-oxazole;ethane;2-methyl-4-(trifluoromethyl)pyrimidine?
The IUPAC name of 2,5-dimethyl-1,3-oxazole;ethane;2-methyl-4-(trifluoromethyl)pyrimidine (CID 169248686) is 2,5-dimethyl-1,3-oxazole;ethane;2-methyl-4-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 2,5-dimethyl-1,3-oxazole;ethane;2-methyl-4-(trifluoromethyl)pyrimidine?
The canonical SMILES for 2,5-dimethyl-1,3-oxazole;ethane;2-methyl-4-(trifluoromethyl)pyrimidine is CC.Cc1cnc(C)o1.Cc1nccc(C(F)(F)F)n1.
What is the InChIKey of 2,5-dimethyl-1,3-oxazole;ethane;2-methyl-4-(trifluoromethyl)pyrimidine?
The InChIKey is FMDWPYYEKWJJBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F3N2.C5H7NO.C2H6/c1-4-10-3-2-5(11-4)6(7,8)9;1-4-3-6-5(2)7-4;1-2/h2-3H,1H3;3H,1-2H3;1-2H3.
What are the key properties of 2,5-dimethyl-1,3-oxazole;ethane;2-methyl-4-(trifluoromethyl)pyrimidine?
2,5-dimethyl-1,3-oxazole;ethane;2-methyl-4-(trifluoromethyl)pyrimidine has a molecular weight of 289.30 g/mol, XLogP of 4.12, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-1,3-oxazole;ethane;2-methyl-4-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 169248686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).