1-methyl-3a-thiophen-2-yl-4,9b-dihydro-3H-chromeno[4,3-c][1,2]oxazole

C15H15NO2S — CID 85416601

IUPAC1-methyl-3a-thiophen-2-yl-4,9b-dihydro-3H-chromeno[4,3-c][1,2]oxazole
SMILESCN1OCC2(c3cccs3)COc3ccccc3C12
InChIInChI=1S/C15H15NO2S/c1-16-14-11-5-2-3-6-12(11)17-9-15(14,10-18-16)13-7-4-8-19-13/h2-8,14H,9-10H2,1H3
InChIKeyTZMAAPKEZCOOEZ-UHFFFAOYSA-N
MW273.36 g/mol
LogP3.00
Rot. Bonds1

About 1-methyl-3a-thiophen-2-yl-4,9b-dihydro-3H-chromeno[4,3-c][1,2]oxazole

1-methyl-3a-thiophen-2-yl-4,9b-dihydro-3H-chromeno[4,3-c][1,2]oxazole (PubChem CID 85416601) has the molecular formula C15H15NO2S and a molecular weight of 273.36 g/mol. Its IUPAC name is 1-methyl-3a-thiophen-2-yl-4,9b-dihydro-3H-chromeno[4,3-c][1,2]oxazole.

Molecular Properties

Compound Name1-methyl-3a-thiophen-2-yl-4,9b-dihydro-3H-chromeno[4,3-c][1,2]oxazole
PubChem CID85416601
Molecular FormulaC15H15NO2S
Molecular Weight273.36 g/mol
Exact Mass273.08
IUPAC Name1-methyl-3a-thiophen-2-yl-4,9b-dihydro-3H-chromeno[4,3-c][1,2]oxazole
SMILESCN1OCC2(c3cccs3)COc3ccccc3C12
InChIInChI=1S/C15H15NO2S/c1-16-14-11-5-2-3-6-12(11)17-9-15(14,10-18-16)13-7-4-8-19-13/h2-8,14H,9-10H2,1H3
InChIKeyTZMAAPKEZCOOEZ-UHFFFAOYSA-N
XLogP3.00
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3a-thiophen-2-yl-4,9b-dihydro-3H-chromeno[4,3-c][1,2]oxazole?
The IUPAC name of 1-methyl-3a-thiophen-2-yl-4,9b-dihydro-3H-chromeno[4,3-c][1,2]oxazole (CID 85416601) is 1-methyl-3a-thiophen-2-yl-4,9b-dihydro-3H-chromeno[4,3-c][1,2]oxazole.
What is the SMILES notation for 1-methyl-3a-thiophen-2-yl-4,9b-dihydro-3H-chromeno[4,3-c][1,2]oxazole?
The canonical SMILES for 1-methyl-3a-thiophen-2-yl-4,9b-dihydro-3H-chromeno[4,3-c][1,2]oxazole is CN1OCC2(c3cccs3)COc3ccccc3C12.
What is the InChIKey of 1-methyl-3a-thiophen-2-yl-4,9b-dihydro-3H-chromeno[4,3-c][1,2]oxazole?
The InChIKey is TZMAAPKEZCOOEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2S/c1-16-14-11-5-2-3-6-12(11)17-9-15(14,10-18-16)13-7-4-8-19-13/h2-8,14H,9-10H2,1H3.
What are the key properties of 1-methyl-3a-thiophen-2-yl-4,9b-dihydro-3H-chromeno[4,3-c][1,2]oxazole?
1-methyl-3a-thiophen-2-yl-4,9b-dihydro-3H-chromeno[4,3-c][1,2]oxazole has a molecular weight of 273.36 g/mol, XLogP of 3.00, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3a-thiophen-2-yl-4,9b-dihydro-3H-chromeno[4,3-c][1,2]oxazole is sourced from PubChem (CID 85416601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).