4-propan-2-yl-3-(pyridin-3-ylsulfonylmethyl)-1,2-oxazole

C12H14N2O3S — CID 167847128

IUPAC4-propan-2-yl-3-(pyridin-3-ylsulfonylmethyl)-1,2-oxazole
SMILESCC(C)c1conc1CS(=O)(=O)c1cccnc1
InChIInChI=1S/C12H14N2O3S/c1-9(2)11-7-17-14-12(11)8-18(15,16)10-4-3-5-13-6-10/h3-7,9H,8H2,1-2H3
InChIKeyHCIRFGDRZIQFSV-UHFFFAOYSA-N
MW266.32 g/mol
LogP2.17
Rot. Bonds4

About 4-propan-2-yl-3-(pyridin-3-ylsulfonylmethyl)-1,2-oxazole

4-propan-2-yl-3-(pyridin-3-ylsulfonylmethyl)-1,2-oxazole (PubChem CID 167847128) has the molecular formula C12H14N2O3S and a molecular weight of 266.32 g/mol. Its IUPAC name is 4-propan-2-yl-3-(pyridin-3-ylsulfonylmethyl)-1,2-oxazole.

Molecular Properties

Compound Name4-propan-2-yl-3-(pyridin-3-ylsulfonylmethyl)-1,2-oxazole
PubChem CID167847128
Molecular FormulaC12H14N2O3S
Molecular Weight266.32 g/mol
Exact Mass266.07
IUPAC Name4-propan-2-yl-3-(pyridin-3-ylsulfonylmethyl)-1,2-oxazole
SMILESCC(C)c1conc1CS(=O)(=O)c1cccnc1
InChIInChI=1S/C12H14N2O3S/c1-9(2)11-7-17-14-12(11)8-18(15,16)10-4-3-5-13-6-10/h3-7,9H,8H2,1-2H3
InChIKeyHCIRFGDRZIQFSV-UHFFFAOYSA-N
XLogP2.17
TPSA73.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-3-(pyridin-3-ylsulfonylmethyl)-1,2-oxazole?
The IUPAC name of 4-propan-2-yl-3-(pyridin-3-ylsulfonylmethyl)-1,2-oxazole (CID 167847128) is 4-propan-2-yl-3-(pyridin-3-ylsulfonylmethyl)-1,2-oxazole.
What is the SMILES notation for 4-propan-2-yl-3-(pyridin-3-ylsulfonylmethyl)-1,2-oxazole?
The canonical SMILES for 4-propan-2-yl-3-(pyridin-3-ylsulfonylmethyl)-1,2-oxazole is CC(C)c1conc1CS(=O)(=O)c1cccnc1.
What is the InChIKey of 4-propan-2-yl-3-(pyridin-3-ylsulfonylmethyl)-1,2-oxazole?
The InChIKey is HCIRFGDRZIQFSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3S/c1-9(2)11-7-17-14-12(11)8-18(15,16)10-4-3-5-13-6-10/h3-7,9H,8H2,1-2H3.
What are the key properties of 4-propan-2-yl-3-(pyridin-3-ylsulfonylmethyl)-1,2-oxazole?
4-propan-2-yl-3-(pyridin-3-ylsulfonylmethyl)-1,2-oxazole has a molecular weight of 266.32 g/mol, XLogP of 2.17, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-3-(pyridin-3-ylsulfonylmethyl)-1,2-oxazole is sourced from PubChem (CID 167847128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).