3-(thian-4-yl)-5,6-dihydro-4H-pyrrolo[3,4-c][1,2]oxazole

C10H14N2OS — CID 83848810

IUPAC3-(thian-4-yl)-5,6-dihydro-4H-pyrrolo[3,4-c][1,2]oxazole
SMILESC1CC(c2onc3c2CNC3)CCS1
InChIInChI=1S/C10H14N2OS/c1-3-14-4-2-7(1)10-8-5-11-6-9(8)12-13-10/h7,11H,1-6H2
InChIKeyDHGHSBYYUYTSLL-UHFFFAOYSA-N
MW210.30 g/mol
LogP1.89
Rot. Bonds1

About 3-(thian-4-yl)-5,6-dihydro-4H-pyrrolo[3,4-c][1,2]oxazole

3-(thian-4-yl)-5,6-dihydro-4H-pyrrolo[3,4-c][1,2]oxazole (PubChem CID 83848810) has the molecular formula C10H14N2OS and a molecular weight of 210.30 g/mol. Its IUPAC name is 3-(thian-4-yl)-5,6-dihydro-4H-pyrrolo[3,4-c][1,2]oxazole.

Molecular Properties

Compound Name3-(thian-4-yl)-5,6-dihydro-4H-pyrrolo[3,4-c][1,2]oxazole
PubChem CID83848810
Molecular FormulaC10H14N2OS
Molecular Weight210.30 g/mol
Exact Mass210.08
IUPAC Name3-(thian-4-yl)-5,6-dihydro-4H-pyrrolo[3,4-c][1,2]oxazole
SMILESC1CC(c2onc3c2CNC3)CCS1
InChIInChI=1S/C10H14N2OS/c1-3-14-4-2-7(1)10-8-5-11-6-9(8)12-13-10/h7,11H,1-6H2
InChIKeyDHGHSBYYUYTSLL-UHFFFAOYSA-N
XLogP1.89
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(thian-4-yl)-5,6-dihydro-4H-pyrrolo[3,4-c][1,2]oxazole?
The IUPAC name of 3-(thian-4-yl)-5,6-dihydro-4H-pyrrolo[3,4-c][1,2]oxazole (CID 83848810) is 3-(thian-4-yl)-5,6-dihydro-4H-pyrrolo[3,4-c][1,2]oxazole.
What is the SMILES notation for 3-(thian-4-yl)-5,6-dihydro-4H-pyrrolo[3,4-c][1,2]oxazole?
The canonical SMILES for 3-(thian-4-yl)-5,6-dihydro-4H-pyrrolo[3,4-c][1,2]oxazole is C1CC(c2onc3c2CNC3)CCS1.
What is the InChIKey of 3-(thian-4-yl)-5,6-dihydro-4H-pyrrolo[3,4-c][1,2]oxazole?
The InChIKey is DHGHSBYYUYTSLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2OS/c1-3-14-4-2-7(1)10-8-5-11-6-9(8)12-13-10/h7,11H,1-6H2.
What are the key properties of 3-(thian-4-yl)-5,6-dihydro-4H-pyrrolo[3,4-c][1,2]oxazole?
3-(thian-4-yl)-5,6-dihydro-4H-pyrrolo[3,4-c][1,2]oxazole has a molecular weight of 210.30 g/mol, XLogP of 1.89, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(thian-4-yl)-5,6-dihydro-4H-pyrrolo[3,4-c][1,2]oxazole is sourced from PubChem (CID 83848810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).