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

C15H15NO2S — CID 11149993

IUPAC(3aS,9bR)-1-methyl-3a-thiophen-2-yl-4,9b-dihydro-3H-chromeno[4,3-c][1,2]oxazole
SMILESCN1OC[C@@]2(c3cccs3)COc3ccccc3[C@@H]12
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/t14-,15-/m1/s1
InChIKeyTZMAAPKEZCOOEZ-HUUCEWRRSA-N
MW273.36 g/mol
LogP3.00
Rot. Bonds1

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

(3aS,9bR)-1-methyl-3a-thiophen-2-yl-4,9b-dihydro-3H-chromeno[4,3-c][1,2]oxazole (PubChem CID 11149993) has the molecular formula C15H15NO2S and a molecular weight of 273.36 g/mol. Its IUPAC name is (3aS,9bR)-1-methyl-3a-thiophen-2-yl-4,9b-dihydro-3H-chromeno[4,3-c][1,2]oxazole.

Molecular Properties

Compound Name(3aS,9bR)-1-methyl-3a-thiophen-2-yl-4,9b-dihydro-3H-chromeno[4,3-c][1,2]oxazole
PubChem CID11149993
Molecular FormulaC15H15NO2S
Molecular Weight273.36 g/mol
Exact Mass273.08
IUPAC Name(3aS,9bR)-1-methyl-3a-thiophen-2-yl-4,9b-dihydro-3H-chromeno[4,3-c][1,2]oxazole
SMILESCN1OC[C@@]2(c3cccs3)COc3ccccc3[C@@H]12
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/t14-,15-/m1/s1
InChIKeyTZMAAPKEZCOOEZ-HUUCEWRRSA-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

Analyze (3aS,9bR)-1-methyl-3a-thiophen-2-yl-4,9b-dihydro-3H-chromeno[4,3-c][1,2]oxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3aS,9bR)-1-methyl-3a-thiophen-2-yl-4,9b-dihydro-3H-chromeno[4,3-c][1,2]oxazole?
The IUPAC name of (3aS,9bR)-1-methyl-3a-thiophen-2-yl-4,9b-dihydro-3H-chromeno[4,3-c][1,2]oxazole (CID 11149993) is (3aS,9bR)-1-methyl-3a-thiophen-2-yl-4,9b-dihydro-3H-chromeno[4,3-c][1,2]oxazole.
What is the SMILES notation for (3aS,9bR)-1-methyl-3a-thiophen-2-yl-4,9b-dihydro-3H-chromeno[4,3-c][1,2]oxazole?
The canonical SMILES for (3aS,9bR)-1-methyl-3a-thiophen-2-yl-4,9b-dihydro-3H-chromeno[4,3-c][1,2]oxazole is CN1OC[C@@]2(c3cccs3)COc3ccccc3[C@@H]12.
What is the InChIKey of (3aS,9bR)-1-methyl-3a-thiophen-2-yl-4,9b-dihydro-3H-chromeno[4,3-c][1,2]oxazole?
The InChIKey is TZMAAPKEZCOOEZ-HUUCEWRRSA-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/t14-,15-/m1/s1.
What are the key properties of (3aS,9bR)-1-methyl-3a-thiophen-2-yl-4,9b-dihydro-3H-chromeno[4,3-c][1,2]oxazole?
(3aS,9bR)-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 (3aS,9bR)-1-methyl-3a-thiophen-2-yl-4,9b-dihydro-3H-chromeno[4,3-c][1,2]oxazole is sourced from PubChem (CID 11149993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).