5-cyclopropyl-4-(2-methylsulfonyl-3-pyridinyl)-1,2-oxazole

C12H12N2O3S — CID 152577586

IUPAC5-cyclopropyl-4-(2-methylsulfonyl-3-pyridinyl)-1,2-oxazole
SMILESCS(=O)(=O)c1ncccc1-c1cnoc1C1CC1
InChIInChI=1S/C12H12N2O3S/c1-18(15,16)12-9(3-2-6-13-12)10-7-14-17-11(10)8-4-5-8/h2-3,6-8H,4-5H2,1H3
InChIKeyYSUFLWVDDHZRQW-UHFFFAOYSA-N
MW264.31 g/mol
LogP2.02
Rot. Bonds3

About 5-cyclopropyl-4-(2-methylsulfonyl-3-pyridinyl)-1,2-oxazole

5-cyclopropyl-4-(2-methylsulfonyl-3-pyridinyl)-1,2-oxazole (PubChem CID 152577586) has the molecular formula C12H12N2O3S and a molecular weight of 264.31 g/mol. Its IUPAC name is 5-cyclopropyl-4-(2-methylsulfonyl-3-pyridinyl)-1,2-oxazole.

Molecular Properties

Compound Name5-cyclopropyl-4-(2-methylsulfonyl-3-pyridinyl)-1,2-oxazole
PubChem CID152577586
Molecular FormulaC12H12N2O3S
Molecular Weight264.31 g/mol
Exact Mass264.06
IUPAC Name5-cyclopropyl-4-(2-methylsulfonyl-3-pyridinyl)-1,2-oxazole
SMILESCS(=O)(=O)c1ncccc1-c1cnoc1C1CC1
InChIInChI=1S/C12H12N2O3S/c1-18(15,16)12-9(3-2-6-13-12)10-7-14-17-11(10)8-4-5-8/h2-3,6-8H,4-5H2,1H3
InChIKeyYSUFLWVDDHZRQW-UHFFFAOYSA-N
XLogP2.02
TPSA73.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.31
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-4-(2-methylsulfonyl-3-pyridinyl)-1,2-oxazole?
The IUPAC name of 5-cyclopropyl-4-(2-methylsulfonyl-3-pyridinyl)-1,2-oxazole (CID 152577586) is 5-cyclopropyl-4-(2-methylsulfonyl-3-pyridinyl)-1,2-oxazole.
What is the SMILES notation for 5-cyclopropyl-4-(2-methylsulfonyl-3-pyridinyl)-1,2-oxazole?
The canonical SMILES for 5-cyclopropyl-4-(2-methylsulfonyl-3-pyridinyl)-1,2-oxazole is CS(=O)(=O)c1ncccc1-c1cnoc1C1CC1.
What is the InChIKey of 5-cyclopropyl-4-(2-methylsulfonyl-3-pyridinyl)-1,2-oxazole?
The InChIKey is YSUFLWVDDHZRQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3S/c1-18(15,16)12-9(3-2-6-13-12)10-7-14-17-11(10)8-4-5-8/h2-3,6-8H,4-5H2,1H3.
What are the key properties of 5-cyclopropyl-4-(2-methylsulfonyl-3-pyridinyl)-1,2-oxazole?
5-cyclopropyl-4-(2-methylsulfonyl-3-pyridinyl)-1,2-oxazole has a molecular weight of 264.31 g/mol, XLogP of 2.02, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-4-(2-methylsulfonyl-3-pyridinyl)-1,2-oxazole is sourced from PubChem (CID 152577586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).