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

C9H7F2N3OS — CID 170144647

IUPAC4-(difluoromethyl)-5-methylsulfanyl-2-pyrimidin-5-yl-1,3-oxazole
SMILESCSc1oc(-c2cncnc2)nc1C(F)F
InChIInChI=1S/C9H7F2N3OS/c1-16-9-6(7(10)11)14-8(15-9)5-2-12-4-13-3-5/h2-4,7H,1H3
InChIKeyTYDPIXBEQPCMFX-UHFFFAOYSA-N
MW243.24 g/mol
LogP2.79
Rot. Bonds3

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

4-(difluoromethyl)-5-methylsulfanyl-2-pyrimidin-5-yl-1,3-oxazole (PubChem CID 170144647) has the molecular formula C9H7F2N3OS and a molecular weight of 243.24 g/mol. Its IUPAC name is 4-(difluoromethyl)-5-methylsulfanyl-2-pyrimidin-5-yl-1,3-oxazole.

Molecular Properties

Compound Name4-(difluoromethyl)-5-methylsulfanyl-2-pyrimidin-5-yl-1,3-oxazole
PubChem CID170144647
Molecular FormulaC9H7F2N3OS
Molecular Weight243.24 g/mol
Exact Mass243.03
IUPAC Name4-(difluoromethyl)-5-methylsulfanyl-2-pyrimidin-5-yl-1,3-oxazole
SMILESCSc1oc(-c2cncnc2)nc1C(F)F
InChIInChI=1S/C9H7F2N3OS/c1-16-9-6(7(10)11)14-8(15-9)5-2-12-4-13-3-5/h2-4,7H,1H3
InChIKeyTYDPIXBEQPCMFX-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-5-methylsulfanyl-2-pyrimidin-5-yl-1,3-oxazole?
The IUPAC name of 4-(difluoromethyl)-5-methylsulfanyl-2-pyrimidin-5-yl-1,3-oxazole (CID 170144647) is 4-(difluoromethyl)-5-methylsulfanyl-2-pyrimidin-5-yl-1,3-oxazole.
What is the SMILES notation for 4-(difluoromethyl)-5-methylsulfanyl-2-pyrimidin-5-yl-1,3-oxazole?
The canonical SMILES for 4-(difluoromethyl)-5-methylsulfanyl-2-pyrimidin-5-yl-1,3-oxazole is CSc1oc(-c2cncnc2)nc1C(F)F.
What is the InChIKey of 4-(difluoromethyl)-5-methylsulfanyl-2-pyrimidin-5-yl-1,3-oxazole?
The InChIKey is TYDPIXBEQPCMFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F2N3OS/c1-16-9-6(7(10)11)14-8(15-9)5-2-12-4-13-3-5/h2-4,7H,1H3.
What are the key properties of 4-(difluoromethyl)-5-methylsulfanyl-2-pyrimidin-5-yl-1,3-oxazole?
4-(difluoromethyl)-5-methylsulfanyl-2-pyrimidin-5-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-5-yl-1,3-oxazole is sourced from PubChem (CID 170144647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).