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

C9H7F2N3OS — CID 170133726

IUPAC4-(difluoromethyl)-5-methylsulfanyl-2-pyrimidin-2-yl-1,3-oxazole
SMILESCSc1oc(-c2ncccn2)nc1C(F)F
InChIInChI=1S/C9H7F2N3OS/c1-16-9-5(6(10)11)14-8(15-9)7-12-3-2-4-13-7/h2-4,6H,1H3
InChIKeySAFJHJPVLHVRME-UHFFFAOYSA-N
MW243.24 g/mol
LogP2.79
Rot. Bonds3

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

4-(difluoromethyl)-5-methylsulfanyl-2-pyrimidin-2-yl-1,3-oxazole (PubChem CID 170133726) has the molecular formula C9H7F2N3OS and a molecular weight of 243.24 g/mol. Its IUPAC name is 4-(difluoromethyl)-5-methylsulfanyl-2-pyrimidin-2-yl-1,3-oxazole.

Molecular Properties

Compound Name4-(difluoromethyl)-5-methylsulfanyl-2-pyrimidin-2-yl-1,3-oxazole
PubChem CID170133726
Molecular FormulaC9H7F2N3OS
Molecular Weight243.24 g/mol
Exact Mass243.03
IUPAC Name4-(difluoromethyl)-5-methylsulfanyl-2-pyrimidin-2-yl-1,3-oxazole
SMILESCSc1oc(-c2ncccn2)nc1C(F)F
InChIInChI=1S/C9H7F2N3OS/c1-16-9-5(6(10)11)14-8(15-9)7-12-3-2-4-13-7/h2-4,6H,1H3
InChIKeySAFJHJPVLHVRME-UHFFFAOYSA-N
XLogP2.79
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.24
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(Difluoromethyl)-5-methylsulfanyl-2-pyrimidin-5-yl-1,3-oxazole
CID 170144647
4-(Difluoromethyl)-5-methyl-2-pyrimidin-2-yl-1,3-oxazole
CID 170144648
4-[(Dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-fluoropyrimidine
CID 164645399
2-Methyl-4-pyrimidin-2-yl-1,3-oxazole
CID 58646249
4-Methyl-2-pyrimidin-2-yl-1,3-oxazole
CID 175957886
4,5-Dimethyl-2-(2-methylpyrimidin-4-yl)sulfanyl-1,3-oxazole
CID 75494315

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-5-methylsulfanyl-2-pyrimidin-2-yl-1,3-oxazole?
The IUPAC name of 4-(difluoromethyl)-5-methylsulfanyl-2-pyrimidin-2-yl-1,3-oxazole (CID 170133726) is 4-(difluoromethyl)-5-methylsulfanyl-2-pyrimidin-2-yl-1,3-oxazole.
What is the SMILES notation for 4-(difluoromethyl)-5-methylsulfanyl-2-pyrimidin-2-yl-1,3-oxazole?
The canonical SMILES for 4-(difluoromethyl)-5-methylsulfanyl-2-pyrimidin-2-yl-1,3-oxazole is CSc1oc(-c2ncccn2)nc1C(F)F.
What is the InChIKey of 4-(difluoromethyl)-5-methylsulfanyl-2-pyrimidin-2-yl-1,3-oxazole?
The InChIKey is SAFJHJPVLHVRME-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F2N3OS/c1-16-9-5(6(10)11)14-8(15-9)7-12-3-2-4-13-7/h2-4,6H,1H3.
What are the key properties of 4-(difluoromethyl)-5-methylsulfanyl-2-pyrimidin-2-yl-1,3-oxazole?
4-(difluoromethyl)-5-methylsulfanyl-2-pyrimidin-2-yl-1,3-oxazole has a molecular weight of 243.24 g/mol, XLogP of 2.79, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-5-methylsulfanyl-2-pyrimidin-2-yl-1,3-oxazole is sourced from PubChem (CID 170133726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).