7,9-dimethoxy-1-methyl-3,3a,4,9b-tetrahydrochromeno[4,3-c][1,2]oxazole

C13H17NO4 — CID 3848624

IUPAC7,9-dimethoxy-1-methyl-3,3a,4,9b-tetrahydrochromeno[4,3-c][1,2]oxazole
SMILESCOc1cc(OC)c2c(c1)OCC1CON(C)C21
InChIInChI=1S/C13H17NO4/c1-14-13-8(7-18-14)6-17-11-5-9(15-2)4-10(16-3)12(11)13/h4-5,8,13H,6-7H2,1-3H3
InChIKeyMABHGRDPPVAZHP-UHFFFAOYSA-N
MW251.28 g/mol
LogP1.63
Rot. Bonds2

About 7,9-dimethoxy-1-methyl-3,3a,4,9b-tetrahydrochromeno[4,3-c][1,2]oxazole

7,9-dimethoxy-1-methyl-3,3a,4,9b-tetrahydrochromeno[4,3-c][1,2]oxazole (PubChem CID 3848624) has the molecular formula C13H17NO4 and a molecular weight of 251.28 g/mol. Its IUPAC name is 7,9-dimethoxy-1-methyl-3,3a,4,9b-tetrahydrochromeno[4,3-c][1,2]oxazole.

Molecular Properties

Compound Name7,9-dimethoxy-1-methyl-3,3a,4,9b-tetrahydrochromeno[4,3-c][1,2]oxazole
PubChem CID3848624
Molecular FormulaC13H17NO4
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC Name7,9-dimethoxy-1-methyl-3,3a,4,9b-tetrahydrochromeno[4,3-c][1,2]oxazole
SMILESCOc1cc(OC)c2c(c1)OCC1CON(C)C21
InChIInChI=1S/C13H17NO4/c1-14-13-8(7-18-14)6-17-11-5-9(15-2)4-10(16-3)12(11)13/h4-5,8,13H,6-7H2,1-3H3
InChIKeyMABHGRDPPVAZHP-UHFFFAOYSA-N
XLogP1.63
TPSA40.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7,9-dimethoxy-1-methyl-3,3a,4,9b-tetrahydrochromeno[4,3-c][1,2]oxazole?
The IUPAC name of 7,9-dimethoxy-1-methyl-3,3a,4,9b-tetrahydrochromeno[4,3-c][1,2]oxazole (CID 3848624) is 7,9-dimethoxy-1-methyl-3,3a,4,9b-tetrahydrochromeno[4,3-c][1,2]oxazole.
What is the SMILES notation for 7,9-dimethoxy-1-methyl-3,3a,4,9b-tetrahydrochromeno[4,3-c][1,2]oxazole?
The canonical SMILES for 7,9-dimethoxy-1-methyl-3,3a,4,9b-tetrahydrochromeno[4,3-c][1,2]oxazole is COc1cc(OC)c2c(c1)OCC1CON(C)C21.
What is the InChIKey of 7,9-dimethoxy-1-methyl-3,3a,4,9b-tetrahydrochromeno[4,3-c][1,2]oxazole?
The InChIKey is MABHGRDPPVAZHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4/c1-14-13-8(7-18-14)6-17-11-5-9(15-2)4-10(16-3)12(11)13/h4-5,8,13H,6-7H2,1-3H3.
What are the key properties of 7,9-dimethoxy-1-methyl-3,3a,4,9b-tetrahydrochromeno[4,3-c][1,2]oxazole?
7,9-dimethoxy-1-methyl-3,3a,4,9b-tetrahydrochromeno[4,3-c][1,2]oxazole has a molecular weight of 251.28 g/mol, XLogP of 1.63, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7,9-dimethoxy-1-methyl-3,3a,4,9b-tetrahydrochromeno[4,3-c][1,2]oxazole is sourced from PubChem (CID 3848624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).