(3aS,9bR)-6-methoxy-1-methyl-3,3a,4,9b-tetrahydrochromeno[4,3-c][1,2]oxazole

C12H15NO3 — CID 6610472

IUPAC(3aS,9bR)-6-methoxy-1-methyl-3,3a,4,9b-tetrahydrochromeno[4,3-c][1,2]oxazole
SMILESCOc1cccc2c1OC[C@H]1CON(C)[C@@H]21
InChIInChI=1S/C12H15NO3/c1-13-11-8(7-16-13)6-15-12-9(11)4-3-5-10(12)14-2/h3-5,8,11H,6-7H2,1-2H3/t8-,11+/m0/s1
InChIKeyBKOLIUJDPAKAHH-GZMMTYOYSA-N
MW221.26 g/mol
LogP1.62
Rot. Bonds1

About (3aS,9bR)-6-methoxy-1-methyl-3,3a,4,9b-tetrahydrochromeno[4,3-c][1,2]oxazole

(3aS,9bR)-6-methoxy-1-methyl-3,3a,4,9b-tetrahydrochromeno[4,3-c][1,2]oxazole (PubChem CID 6610472) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is (3aS,9bR)-6-methoxy-1-methyl-3,3a,4,9b-tetrahydrochromeno[4,3-c][1,2]oxazole.

Molecular Properties

Compound Name(3aS,9bR)-6-methoxy-1-methyl-3,3a,4,9b-tetrahydrochromeno[4,3-c][1,2]oxazole
PubChem CID6610472
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Name(3aS,9bR)-6-methoxy-1-methyl-3,3a,4,9b-tetrahydrochromeno[4,3-c][1,2]oxazole
SMILESCOc1cccc2c1OC[C@H]1CON(C)[C@@H]21
InChIInChI=1S/C12H15NO3/c1-13-11-8(7-16-13)6-15-12-9(11)4-3-5-10(12)14-2/h3-5,8,11H,6-7H2,1-2H3/t8-,11+/m0/s1
InChIKeyBKOLIUJDPAKAHH-GZMMTYOYSA-N
XLogP1.62
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3aS,9bR)-6-methoxy-1-methyl-3,3a,4,9b-tetrahydrochromeno[4,3-c][1,2]oxazole with MolForge

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Related Compounds

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(1S,10R)-6-methoxy-11,11,15,15-tetramethyl-8,12,14-trioxa-16λ4-thiatetracyclo[8.7.0.02,7.013,17]heptadeca-2(7),3,5,13(17)-tetraene 16-oxide
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Frequently Asked Questions

What is the IUPAC name of (3aS,9bR)-6-methoxy-1-methyl-3,3a,4,9b-tetrahydrochromeno[4,3-c][1,2]oxazole?
The IUPAC name of (3aS,9bR)-6-methoxy-1-methyl-3,3a,4,9b-tetrahydrochromeno[4,3-c][1,2]oxazole (CID 6610472) is (3aS,9bR)-6-methoxy-1-methyl-3,3a,4,9b-tetrahydrochromeno[4,3-c][1,2]oxazole.
What is the SMILES notation for (3aS,9bR)-6-methoxy-1-methyl-3,3a,4,9b-tetrahydrochromeno[4,3-c][1,2]oxazole?
The canonical SMILES for (3aS,9bR)-6-methoxy-1-methyl-3,3a,4,9b-tetrahydrochromeno[4,3-c][1,2]oxazole is COc1cccc2c1OC[C@H]1CON(C)[C@@H]21.
What is the InChIKey of (3aS,9bR)-6-methoxy-1-methyl-3,3a,4,9b-tetrahydrochromeno[4,3-c][1,2]oxazole?
The InChIKey is BKOLIUJDPAKAHH-GZMMTYOYSA-N. The full InChI is InChI=1S/C12H15NO3/c1-13-11-8(7-16-13)6-15-12-9(11)4-3-5-10(12)14-2/h3-5,8,11H,6-7H2,1-2H3/t8-,11+/m0/s1.
What are the key properties of (3aS,9bR)-6-methoxy-1-methyl-3,3a,4,9b-tetrahydrochromeno[4,3-c][1,2]oxazole?
(3aS,9bR)-6-methoxy-1-methyl-3,3a,4,9b-tetrahydrochromeno[4,3-c][1,2]oxazole has a molecular weight of 221.26 g/mol, XLogP of 1.62, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,9bR)-6-methoxy-1-methyl-3,3a,4,9b-tetrahydrochromeno[4,3-c][1,2]oxazole is sourced from PubChem (CID 6610472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).