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

C17H17NO5 — CID 2570598

IUPAC(3,5-dimethyl-1,2-oxazol-4-yl)methyl 3-(methoxymethyl)-1-benzofuran-2-carboxylate
SMILESCOCc1c(C(=O)OCc2c(C)noc2C)oc2ccccc12
InChIInChI=1S/C17H17NO5/c1-10-13(11(2)23-18-10)9-21-17(19)16-14(8-20-3)12-6-4-5-7-15(12)22-16/h4-7H,8-9H2,1-3H3
InChIKeyNGZWUSJQQYSXPC-UHFFFAOYSA-N
MW315.33 g/mol
LogP3.54
Rot. Bonds5

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

(3,5-dimethyl-1,2-oxazol-4-yl)methyl 3-(methoxymethyl)-1-benzofuran-2-carboxylate (PubChem CID 2570598) 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 3-(methoxymethyl)-1-benzofuran-2-carboxylate.

Molecular Properties

Compound Name(3,5-dimethyl-1,2-oxazol-4-yl)methyl 3-(methoxymethyl)-1-benzofuran-2-carboxylate
PubChem CID2570598
Molecular FormulaC17H17NO5
Molecular Weight315.33 g/mol
Exact Mass315.11
IUPAC Name(3,5-dimethyl-1,2-oxazol-4-yl)methyl 3-(methoxymethyl)-1-benzofuran-2-carboxylate
SMILESCOCc1c(C(=O)OCc2c(C)noc2C)oc2ccccc12
InChIInChI=1S/C17H17NO5/c1-10-13(11(2)23-18-10)9-21-17(19)16-14(8-20-3)12-6-4-5-7-15(12)22-16/h4-7H,8-9H2,1-3H3
InChIKeyNGZWUSJQQYSXPC-UHFFFAOYSA-N
XLogP3.54
TPSA74.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (3,5-dimethyl-1,2-oxazol-4-yl)methyl 3-(methoxymethyl)-1-benzofuran-2-carboxylate 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 (3,5-dimethyl-1,2-oxazol-4-yl)methyl 3-(methoxymethyl)-1-benzofuran-2-carboxylate?
The IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)methyl 3-(methoxymethyl)-1-benzofuran-2-carboxylate (CID 2570598) is (3,5-dimethyl-1,2-oxazol-4-yl)methyl 3-(methoxymethyl)-1-benzofuran-2-carboxylate.
What is the SMILES notation for (3,5-dimethyl-1,2-oxazol-4-yl)methyl 3-(methoxymethyl)-1-benzofuran-2-carboxylate?
The canonical SMILES for (3,5-dimethyl-1,2-oxazol-4-yl)methyl 3-(methoxymethyl)-1-benzofuran-2-carboxylate is COCc1c(C(=O)OCc2c(C)noc2C)oc2ccccc12.
What is the InChIKey of (3,5-dimethyl-1,2-oxazol-4-yl)methyl 3-(methoxymethyl)-1-benzofuran-2-carboxylate?
The InChIKey is NGZWUSJQQYSXPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO5/c1-10-13(11(2)23-18-10)9-21-17(19)16-14(8-20-3)12-6-4-5-7-15(12)22-16/h4-7H,8-9H2,1-3H3.
What are the key properties of (3,5-dimethyl-1,2-oxazol-4-yl)methyl 3-(methoxymethyl)-1-benzofuran-2-carboxylate?
(3,5-dimethyl-1,2-oxazol-4-yl)methyl 3-(methoxymethyl)-1-benzofuran-2-carboxylate has a molecular weight of 315.33 g/mol, XLogP of 3.54, 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 3-(methoxymethyl)-1-benzofuran-2-carboxylate is sourced from PubChem (CID 2570598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).