(3,5-dimethyl-1,2-oxazol-4-yl)methyl 5-methoxy-3-methyl-1-benzofuran-2-carboxylate

C17H17NO5 — CID 2126530

IUPAC(3,5-dimethyl-1,2-oxazol-4-yl)methyl 5-methoxy-3-methyl-1-benzofuran-2-carboxylate
SMILESCOc1ccc2oc(C(=O)OCc3c(C)noc3C)c(C)c2c1
InChIInChI=1S/C17H17NO5/c1-9-13-7-12(20-4)5-6-15(13)22-16(9)17(19)21-8-14-10(2)18-23-11(14)3/h5-7H,8H2,1-4H3
InChIKeyPZRKMBJSDTUITP-UHFFFAOYSA-N
MW315.33 g/mol
LogP3.71
Rot. Bonds4

About (3,5-dimethyl-1,2-oxazol-4-yl)methyl 5-methoxy-3-methyl-1-benzofuran-2-carboxylate

(3,5-dimethyl-1,2-oxazol-4-yl)methyl 5-methoxy-3-methyl-1-benzofuran-2-carboxylate (PubChem CID 2126530) has the molecular formula C17H17NO5 and a molecular weight of 315.33 g/mol. Its IUPAC name is (3,5-dimethyl-1,2-oxazol-4-yl)methyl 5-methoxy-3-methyl-1-benzofuran-2-carboxylate.

Molecular Properties

Compound Name(3,5-dimethyl-1,2-oxazol-4-yl)methyl 5-methoxy-3-methyl-1-benzofuran-2-carboxylate
PubChem CID2126530
Molecular FormulaC17H17NO5
Molecular Weight315.33 g/mol
Exact Mass315.11
IUPAC Name(3,5-dimethyl-1,2-oxazol-4-yl)methyl 5-methoxy-3-methyl-1-benzofuran-2-carboxylate
SMILESCOc1ccc2oc(C(=O)OCc3c(C)noc3C)c(C)c2c1
InChIInChI=1S/C17H17NO5/c1-9-13-7-12(20-4)5-6-15(13)22-16(9)17(19)21-8-14-10(2)18-23-11(14)3/h5-7H,8H2,1-4H3
InChIKeyPZRKMBJSDTUITP-UHFFFAOYSA-N
XLogP3.71
TPSA74.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)methyl 5-methoxy-3-methyl-1-benzofuran-2-carboxylate?
The IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)methyl 5-methoxy-3-methyl-1-benzofuran-2-carboxylate (CID 2126530) is (3,5-dimethyl-1,2-oxazol-4-yl)methyl 5-methoxy-3-methyl-1-benzofuran-2-carboxylate.
What is the SMILES notation for (3,5-dimethyl-1,2-oxazol-4-yl)methyl 5-methoxy-3-methyl-1-benzofuran-2-carboxylate?
The canonical SMILES for (3,5-dimethyl-1,2-oxazol-4-yl)methyl 5-methoxy-3-methyl-1-benzofuran-2-carboxylate is COc1ccc2oc(C(=O)OCc3c(C)noc3C)c(C)c2c1.
What is the InChIKey of (3,5-dimethyl-1,2-oxazol-4-yl)methyl 5-methoxy-3-methyl-1-benzofuran-2-carboxylate?
The InChIKey is PZRKMBJSDTUITP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO5/c1-9-13-7-12(20-4)5-6-15(13)22-16(9)17(19)21-8-14-10(2)18-23-11(14)3/h5-7H,8H2,1-4H3.
What are the key properties of (3,5-dimethyl-1,2-oxazol-4-yl)methyl 5-methoxy-3-methyl-1-benzofuran-2-carboxylate?
(3,5-dimethyl-1,2-oxazol-4-yl)methyl 5-methoxy-3-methyl-1-benzofuran-2-carboxylate has a molecular weight of 315.33 g/mol, XLogP of 3.71, 4 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 5-methoxy-3-methyl-1-benzofuran-2-carboxylate is sourced from PubChem (CID 2126530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).