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

C11H11F2N3O — CID 169163157

IUPAC4-(difluoromethyl)-5-propan-2-yl-2-pyrimidin-2-yl-1,3-oxazole
SMILESCC(C)c1oc(-c2ncccn2)nc1C(F)F
InChIInChI=1S/C11H11F2N3O/c1-6(2)8-7(9(12)13)16-11(17-8)10-14-4-3-5-15-10/h3-6,9H,1-2H3
InChIKeyYRAIGAFTNJDKEL-UHFFFAOYSA-N
MW239.23 g/mol
LogP3.19
Rot. Bonds3

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

4-(difluoromethyl)-5-propan-2-yl-2-pyrimidin-2-yl-1,3-oxazole (PubChem CID 169163157) has the molecular formula C11H11F2N3O and a molecular weight of 239.23 g/mol. Its IUPAC name is 4-(difluoromethyl)-5-propan-2-yl-2-pyrimidin-2-yl-1,3-oxazole.

Molecular Properties

Compound Name4-(difluoromethyl)-5-propan-2-yl-2-pyrimidin-2-yl-1,3-oxazole
PubChem CID169163157
Molecular FormulaC11H11F2N3O
Molecular Weight239.23 g/mol
Exact Mass239.09
IUPAC Name4-(difluoromethyl)-5-propan-2-yl-2-pyrimidin-2-yl-1,3-oxazole
SMILESCC(C)c1oc(-c2ncccn2)nc1C(F)F
InChIInChI=1S/C11H11F2N3O/c1-6(2)8-7(9(12)13)16-11(17-8)10-14-4-3-5-15-10/h3-6,9H,1-2H3
InChIKeyYRAIGAFTNJDKEL-UHFFFAOYSA-N
XLogP3.19
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(Difluoromethyl)-5-propan-2-yl-2-pyrimidin-4-yl-1,3-oxazole
CID 169163014
4-(Difluoromethyl)-5-propan-2-yl-2-pyrimidin-5-yl-1,3-oxazole
CID 169163240
2,5-Dimethyl-1,3-oxazole;ethane;2-methyl-4-(trifluoromethyl)pyrimidine
CID 169248686
4-(Difluoromethyl)-5-methyl-2-pyrimidin-2-yl-1,3-oxazole
CID 170144648
2,5-dimethyl-4-[[2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-1,3-oxazole
CID 24913614
4,5-Dimethyl-2-[[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methyl]-1,3-oxazole
CID 53546250
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 103623952
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 104969953
1-[(4,5-Dimethyl-1,3-oxazol-2-yl)methyl]-2-methyl-3-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]guanidine;hydroiodide
CID 109431202
1-[(4,5-Dimethyl-1,3-oxazol-2-yl)methyl]-2-methyl-3-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]guanidine
CID 109431203
2-[(4,5-Dimethyl-1,3-oxazol-2-yl)methyl]-1-ethyl-3-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]guanidine;hydroiodide
CID 109432368
2-[(4,5-Dimethyl-1,3-oxazol-2-yl)methyl]-1-ethyl-3-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]guanidine
CID 109432369

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-5-propan-2-yl-2-pyrimidin-2-yl-1,3-oxazole?
The IUPAC name of 4-(difluoromethyl)-5-propan-2-yl-2-pyrimidin-2-yl-1,3-oxazole (CID 169163157) is 4-(difluoromethyl)-5-propan-2-yl-2-pyrimidin-2-yl-1,3-oxazole.
What is the SMILES notation for 4-(difluoromethyl)-5-propan-2-yl-2-pyrimidin-2-yl-1,3-oxazole?
The canonical SMILES for 4-(difluoromethyl)-5-propan-2-yl-2-pyrimidin-2-yl-1,3-oxazole is CC(C)c1oc(-c2ncccn2)nc1C(F)F.
What is the InChIKey of 4-(difluoromethyl)-5-propan-2-yl-2-pyrimidin-2-yl-1,3-oxazole?
The InChIKey is YRAIGAFTNJDKEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2N3O/c1-6(2)8-7(9(12)13)16-11(17-8)10-14-4-3-5-15-10/h3-6,9H,1-2H3.
What are the key properties of 4-(difluoromethyl)-5-propan-2-yl-2-pyrimidin-2-yl-1,3-oxazole?
4-(difluoromethyl)-5-propan-2-yl-2-pyrimidin-2-yl-1,3-oxazole has a molecular weight of 239.23 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-5-propan-2-yl-2-pyrimidin-2-yl-1,3-oxazole is sourced from PubChem (CID 169163157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).