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

C9H7F2N3O — CID 170144648

IUPAC4-(difluoromethyl)-5-methyl-2-pyrimidin-2-yl-1,3-oxazole
SMILESCc1oc(-c2ncccn2)nc1C(F)F
InChIInChI=1S/C9H7F2N3O/c1-5-6(7(10)11)14-9(15-5)8-12-3-2-4-13-8/h2-4,7H,1H3
InChIKeyZBBFFLOPZAJNMG-UHFFFAOYSA-N
MW211.17 g/mol
LogP2.38
Rot. Bonds2

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

4-(difluoromethyl)-5-methyl-2-pyrimidin-2-yl-1,3-oxazole (PubChem CID 170144648) has the molecular formula C9H7F2N3O and a molecular weight of 211.17 g/mol. Its IUPAC name is 4-(difluoromethyl)-5-methyl-2-pyrimidin-2-yl-1,3-oxazole.

Molecular Properties

Compound Name4-(difluoromethyl)-5-methyl-2-pyrimidin-2-yl-1,3-oxazole
PubChem CID170144648
Molecular FormulaC9H7F2N3O
Molecular Weight211.17 g/mol
Exact Mass211.06
IUPAC Name4-(difluoromethyl)-5-methyl-2-pyrimidin-2-yl-1,3-oxazole
SMILESCc1oc(-c2ncccn2)nc1C(F)F
InChIInChI=1S/C9H7F2N3O/c1-5-6(7(10)11)14-9(15-5)8-12-3-2-4-13-8/h2-4,7H,1H3
InChIKeyZBBFFLOPZAJNMG-UHFFFAOYSA-N
XLogP2.38
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.17
LogP ≤ 52.38
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
Fluoro 4-(difluoromethyl)-2-pyrimidin-2-yl-1,3-oxazole-5-carboxylate
CID 169163844
2,5-Dimethyl-1,3-oxazole;ethane;2-methyl-4-(trifluoromethyl)pyrimidine
CID 169248686
4-(Difluoromethyl)-5-methylsulfanyl-2-pyrimidin-2-yl-1,3-oxazole
CID 170133726
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-methyl-1,3-oxazol-2-yl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 103718664
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-fluoropyrimidin-2-amine
CID 103826072
N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 103946638
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 104969953
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-fluoropyrimidin-4-amine
CID 106375571

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-5-methyl-2-pyrimidin-2-yl-1,3-oxazole?
The IUPAC name of 4-(difluoromethyl)-5-methyl-2-pyrimidin-2-yl-1,3-oxazole (CID 170144648) is 4-(difluoromethyl)-5-methyl-2-pyrimidin-2-yl-1,3-oxazole.
What is the SMILES notation for 4-(difluoromethyl)-5-methyl-2-pyrimidin-2-yl-1,3-oxazole?
The canonical SMILES for 4-(difluoromethyl)-5-methyl-2-pyrimidin-2-yl-1,3-oxazole is Cc1oc(-c2ncccn2)nc1C(F)F.
What is the InChIKey of 4-(difluoromethyl)-5-methyl-2-pyrimidin-2-yl-1,3-oxazole?
The InChIKey is ZBBFFLOPZAJNMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F2N3O/c1-5-6(7(10)11)14-9(15-5)8-12-3-2-4-13-8/h2-4,7H,1H3.
What are the key properties of 4-(difluoromethyl)-5-methyl-2-pyrimidin-2-yl-1,3-oxazole?
4-(difluoromethyl)-5-methyl-2-pyrimidin-2-yl-1,3-oxazole has a molecular weight of 211.17 g/mol, XLogP of 2.38, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-5-methyl-2-pyrimidin-2-yl-1,3-oxazole is sourced from PubChem (CID 170144648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).