2-[(4-cyclopropylpyrimidin-2-yl)sulfanyl-difluoromethyl]-1,3-benzoxazole

C15H11F2N3OS — CID 56850114

IUPAC2-[(4-cyclopropylpyrimidin-2-yl)sulfanyl-difluoromethyl]-1,3-benzoxazole
SMILESFC(F)(Sc1nccc(C2CC2)n1)c1nc2ccccc2o1
InChIInChI=1S/C15H11F2N3OS/c16-15(17,13-19-11-3-1-2-4-12(11)21-13)22-14-18-8-7-10(20-14)9-5-6-9/h1-4,7-9H,5-6H2
InChIKeyDGZBYUPGEWLWGK-UHFFFAOYSA-N
MW319.34 g/mol
LogP4.34
Rot. Bonds4

About 2-[(4-cyclopropylpyrimidin-2-yl)sulfanyl-difluoromethyl]-1,3-benzoxazole

2-[(4-cyclopropylpyrimidin-2-yl)sulfanyl-difluoromethyl]-1,3-benzoxazole (PubChem CID 56850114) has the molecular formula C15H11F2N3OS and a molecular weight of 319.34 g/mol. Its IUPAC name is 2-[(4-cyclopropylpyrimidin-2-yl)sulfanyl-difluoromethyl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-[(4-cyclopropylpyrimidin-2-yl)sulfanyl-difluoromethyl]-1,3-benzoxazole
PubChem CID56850114
Molecular FormulaC15H11F2N3OS
Molecular Weight319.34 g/mol
Exact Mass319.06
IUPAC Name2-[(4-cyclopropylpyrimidin-2-yl)sulfanyl-difluoromethyl]-1,3-benzoxazole
SMILESFC(F)(Sc1nccc(C2CC2)n1)c1nc2ccccc2o1
InChIInChI=1S/C15H11F2N3OS/c16-15(17,13-19-11-3-1-2-4-12(11)21-13)22-14-18-8-7-10(20-14)9-5-6-9/h1-4,7-9H,5-6H2
InChIKeyDGZBYUPGEWLWGK-UHFFFAOYSA-N
XLogP4.34
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.34
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[(4-cyclopropylpyrimidin-2-yl)sulfanyl-difluoromethyl]-1,3-benzoxazole 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 2-[(4-cyclopropylpyrimidin-2-yl)sulfanyl-difluoromethyl]-1,3-benzoxazole?
The IUPAC name of 2-[(4-cyclopropylpyrimidin-2-yl)sulfanyl-difluoromethyl]-1,3-benzoxazole (CID 56850114) is 2-[(4-cyclopropylpyrimidin-2-yl)sulfanyl-difluoromethyl]-1,3-benzoxazole.
What is the SMILES notation for 2-[(4-cyclopropylpyrimidin-2-yl)sulfanyl-difluoromethyl]-1,3-benzoxazole?
The canonical SMILES for 2-[(4-cyclopropylpyrimidin-2-yl)sulfanyl-difluoromethyl]-1,3-benzoxazole is FC(F)(Sc1nccc(C2CC2)n1)c1nc2ccccc2o1.
What is the InChIKey of 2-[(4-cyclopropylpyrimidin-2-yl)sulfanyl-difluoromethyl]-1,3-benzoxazole?
The InChIKey is DGZBYUPGEWLWGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F2N3OS/c16-15(17,13-19-11-3-1-2-4-12(11)21-13)22-14-18-8-7-10(20-14)9-5-6-9/h1-4,7-9H,5-6H2.
What are the key properties of 2-[(4-cyclopropylpyrimidin-2-yl)sulfanyl-difluoromethyl]-1,3-benzoxazole?
2-[(4-cyclopropylpyrimidin-2-yl)sulfanyl-difluoromethyl]-1,3-benzoxazole has a molecular weight of 319.34 g/mol, XLogP of 4.34, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-cyclopropylpyrimidin-2-yl)sulfanyl-difluoromethyl]-1,3-benzoxazole is sourced from PubChem (CID 56850114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).