4-[(4-propan-2-yl-1,2-oxazol-3-yl)methylsulfonyl]furo[3,2-c]pyridine

C14H14N2O4S — CID 167799398

IUPAC4-[(4-propan-2-yl-1,2-oxazol-3-yl)methylsulfonyl]furo[3,2-c]pyridine
SMILESCC(C)c1conc1CS(=O)(=O)c1nccc2occc12
InChIInChI=1S/C14H14N2O4S/c1-9(2)11-7-20-16-12(11)8-21(17,18)14-10-4-6-19-13(10)3-5-15-14/h3-7,9H,8H2,1-2H3
InChIKeyVZOCFNWGSMJLCW-UHFFFAOYSA-N
MW306.34 g/mol
LogP2.91
Rot. Bonds4

About 4-[(4-propan-2-yl-1,2-oxazol-3-yl)methylsulfonyl]furo[3,2-c]pyridine

4-[(4-propan-2-yl-1,2-oxazol-3-yl)methylsulfonyl]furo[3,2-c]pyridine (PubChem CID 167799398) has the molecular formula C14H14N2O4S and a molecular weight of 306.34 g/mol. Its IUPAC name is 4-[(4-propan-2-yl-1,2-oxazol-3-yl)methylsulfonyl]furo[3,2-c]pyridine.

Molecular Properties

Compound Name4-[(4-propan-2-yl-1,2-oxazol-3-yl)methylsulfonyl]furo[3,2-c]pyridine
PubChem CID167799398
Molecular FormulaC14H14N2O4S
Molecular Weight306.34 g/mol
Exact Mass306.07
IUPAC Name4-[(4-propan-2-yl-1,2-oxazol-3-yl)methylsulfonyl]furo[3,2-c]pyridine
SMILESCC(C)c1conc1CS(=O)(=O)c1nccc2occc12
InChIInChI=1S/C14H14N2O4S/c1-9(2)11-7-20-16-12(11)8-21(17,18)14-10-4-6-19-13(10)3-5-15-14/h3-7,9H,8H2,1-2H3
InChIKeyVZOCFNWGSMJLCW-UHFFFAOYSA-N
XLogP2.91
TPSA86.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-propan-2-yl-1,2-oxazol-3-yl)methylsulfonyl]furo[3,2-c]pyridine?
The IUPAC name of 4-[(4-propan-2-yl-1,2-oxazol-3-yl)methylsulfonyl]furo[3,2-c]pyridine (CID 167799398) is 4-[(4-propan-2-yl-1,2-oxazol-3-yl)methylsulfonyl]furo[3,2-c]pyridine.
What is the SMILES notation for 4-[(4-propan-2-yl-1,2-oxazol-3-yl)methylsulfonyl]furo[3,2-c]pyridine?
The canonical SMILES for 4-[(4-propan-2-yl-1,2-oxazol-3-yl)methylsulfonyl]furo[3,2-c]pyridine is CC(C)c1conc1CS(=O)(=O)c1nccc2occc12.
What is the InChIKey of 4-[(4-propan-2-yl-1,2-oxazol-3-yl)methylsulfonyl]furo[3,2-c]pyridine?
The InChIKey is VZOCFNWGSMJLCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4S/c1-9(2)11-7-20-16-12(11)8-21(17,18)14-10-4-6-19-13(10)3-5-15-14/h3-7,9H,8H2,1-2H3.
What are the key properties of 4-[(4-propan-2-yl-1,2-oxazol-3-yl)methylsulfonyl]furo[3,2-c]pyridine?
4-[(4-propan-2-yl-1,2-oxazol-3-yl)methylsulfonyl]furo[3,2-c]pyridine has a molecular weight of 306.34 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-propan-2-yl-1,2-oxazol-3-yl)methylsulfonyl]furo[3,2-c]pyridine is sourced from PubChem (CID 167799398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).