3-cyclopropyl-5-(2,3-dihydro-1H-inden-2-ylsulfinylmethyl)-1,2-oxazole

C16H17NO2S — CID 167881613

IUPAC3-cyclopropyl-5-(2,3-dihydro-1H-inden-2-ylsulfinylmethyl)-1,2-oxazole
SMILESO=S(Cc1cc(C2CC2)no1)C1Cc2ccccc2C1
InChIInChI=1S/C16H17NO2S/c18-20(10-14-9-16(17-19-14)11-5-6-11)15-7-12-3-1-2-4-13(12)8-15/h1-4,9,11,15H,5-8,10H2
InChIKeyUVMQZDWXTNIDMH-UHFFFAOYSA-N
MW287.38 g/mol
LogP2.97
Rot. Bonds4

About 3-cyclopropyl-5-(2,3-dihydro-1H-inden-2-ylsulfinylmethyl)-1,2-oxazole

3-cyclopropyl-5-(2,3-dihydro-1H-inden-2-ylsulfinylmethyl)-1,2-oxazole (PubChem CID 167881613) has the molecular formula C16H17NO2S and a molecular weight of 287.38 g/mol. Its IUPAC name is 3-cyclopropyl-5-(2,3-dihydro-1H-inden-2-ylsulfinylmethyl)-1,2-oxazole.

Molecular Properties

Compound Name3-cyclopropyl-5-(2,3-dihydro-1H-inden-2-ylsulfinylmethyl)-1,2-oxazole
PubChem CID167881613
Molecular FormulaC16H17NO2S
Molecular Weight287.38 g/mol
Exact Mass287.10
IUPAC Name3-cyclopropyl-5-(2,3-dihydro-1H-inden-2-ylsulfinylmethyl)-1,2-oxazole
SMILESO=S(Cc1cc(C2CC2)no1)C1Cc2ccccc2C1
InChIInChI=1S/C16H17NO2S/c18-20(10-14-9-16(17-19-14)11-5-6-11)15-7-12-3-1-2-4-13(12)8-15/h1-4,9,11,15H,5-8,10H2
InChIKeyUVMQZDWXTNIDMH-UHFFFAOYSA-N
XLogP2.97
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-(2,3-dihydro-1H-inden-2-ylsulfinylmethyl)-1,2-oxazole?
The IUPAC name of 3-cyclopropyl-5-(2,3-dihydro-1H-inden-2-ylsulfinylmethyl)-1,2-oxazole (CID 167881613) is 3-cyclopropyl-5-(2,3-dihydro-1H-inden-2-ylsulfinylmethyl)-1,2-oxazole.
What is the SMILES notation for 3-cyclopropyl-5-(2,3-dihydro-1H-inden-2-ylsulfinylmethyl)-1,2-oxazole?
The canonical SMILES for 3-cyclopropyl-5-(2,3-dihydro-1H-inden-2-ylsulfinylmethyl)-1,2-oxazole is O=S(Cc1cc(C2CC2)no1)C1Cc2ccccc2C1.
What is the InChIKey of 3-cyclopropyl-5-(2,3-dihydro-1H-inden-2-ylsulfinylmethyl)-1,2-oxazole?
The InChIKey is UVMQZDWXTNIDMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2S/c18-20(10-14-9-16(17-19-14)11-5-6-11)15-7-12-3-1-2-4-13(12)8-15/h1-4,9,11,15H,5-8,10H2.
What are the key properties of 3-cyclopropyl-5-(2,3-dihydro-1H-inden-2-ylsulfinylmethyl)-1,2-oxazole?
3-cyclopropyl-5-(2,3-dihydro-1H-inden-2-ylsulfinylmethyl)-1,2-oxazole has a molecular weight of 287.38 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-(2,3-dihydro-1H-inden-2-ylsulfinylmethyl)-1,2-oxazole is sourced from PubChem (CID 167881613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).