(3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetate

C20H21NO5 — CID 31133084

IUPAC(3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetate
SMILESCc1noc(C)c1COC(=O)COc1ccc2oc3c(c2c1)CCCC3
InChIInChI=1S/C20H21NO5/c1-12-17(13(2)26-21-12)10-24-20(22)11-23-14-7-8-19-16(9-14)15-5-3-4-6-18(15)25-19/h7-9H,3-6,10-11H2,1-2H3
InChIKeyGTGADHDSFTVYNV-UHFFFAOYSA-N
MW355.39 g/mol
LogP4.04
Rot. Bonds5

About (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetate

(3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetate (PubChem CID 31133084) has the molecular formula C20H21NO5 and a molecular weight of 355.39 g/mol. Its IUPAC name is (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetate.

Molecular Properties

Compound Name(3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetate
PubChem CID31133084
Molecular FormulaC20H21NO5
Molecular Weight355.39 g/mol
Exact Mass355.14
IUPAC Name(3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetate
SMILESCc1noc(C)c1COC(=O)COc1ccc2oc3c(c2c1)CCCC3
InChIInChI=1S/C20H21NO5/c1-12-17(13(2)26-21-12)10-24-20(22)11-23-14-7-8-19-16(9-14)15-5-3-4-6-18(15)25-19/h7-9H,3-6,10-11H2,1-2H3
InChIKeyGTGADHDSFTVYNV-UHFFFAOYSA-N
XLogP4.04
TPSA74.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetate with MolForge

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Related Compounds

pyridin-3-ylmethyl 2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetate
CID 71944710
(3-fluoro-4-methoxyphenyl)methyl 2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetate
CID 18288272
5-methyl-3-(6,7,8,9-tetrahydrodibenzofuran-2-yloxymethyl)-1,2-oxazole
CID 112797307
5-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-2-methyl-1-benzofuran-3-carboxylic acid
CID 163380318
(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetate
CID 46814547
(3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-(4-phenylphenoxy)acetate
CID 2364688
N-ethoxy-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide
CID 46536426
methyl 2-[4-[2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetyl]oxyphenyl]acetate
CID 8868175
6,7,8,9-tetrahydrodibenzofuran-2-yl 3,5-dimethyl-1,2-oxazole-4-sulfonate
CID 26943220
[4-(2-methoxyethyl)phenyl] 2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetate
CID 8867276
(4-cyanophenyl) 2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetate
CID 8765893
N-methyl-N-propan-2-yl-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide
CID 78843878

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetate?
The IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetate (CID 31133084) is (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetate.
What is the SMILES notation for (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetate?
The canonical SMILES for (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetate is Cc1noc(C)c1COC(=O)COc1ccc2oc3c(c2c1)CCCC3.
What is the InChIKey of (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetate?
The InChIKey is GTGADHDSFTVYNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO5/c1-12-17(13(2)26-21-12)10-24-20(22)11-23-14-7-8-19-16(9-14)15-5-3-4-6-18(15)25-19/h7-9H,3-6,10-11H2,1-2H3.
What are the key properties of (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetate?
(3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetate has a molecular weight of 355.39 g/mol, XLogP of 4.04, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetate is sourced from PubChem (CID 31133084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).