methyl 2-methoxy-5-[(E)-1-(3-methoxy-7-methyl-1,2-benzoxazol-5-yl)-4-(2-oxo-1,3-oxazolidin-3-yl)but-1-enyl]-3-methylbenzoate

C26H28N2O7 — CID 42598489

IUPACmethyl 2-methoxy-5-[(E)-1-(3-methoxy-7-methyl-1,2-benzoxazol-5-yl)-4-(2-oxo-1,3-oxazolidin-3-yl)but-1-enyl]-3-methylbenzoate
SMILESCOC(=O)c1cc(/C(=C/CCN2CCOC2=O)c2cc(C)c3onc(OC)c3c2)cc(C)c1OC
InChIInChI=1S/C26H28N2O7/c1-15-11-18(14-21(22(15)31-3)25(29)33-5)19(7-6-8-28-9-10-34-26(28)30)17-12-16(2)23-20(13-17)24(32-4)27-35-23/h7,11-14H,6,8-10H2,1-5H3/b19-7+
InChIKeyQETQHVAOQHNEDW-FBCYGCLPSA-N
MW480.52 g/mol
LogP4.52
Rot. Bonds8

About methyl 2-methoxy-5-[(E)-1-(3-methoxy-7-methyl-1,2-benzoxazol-5-yl)-4-(2-oxo-1,3-oxazolidin-3-yl)but-1-enyl]-3-methylbenzoate

methyl 2-methoxy-5-[(E)-1-(3-methoxy-7-methyl-1,2-benzoxazol-5-yl)-4-(2-oxo-1,3-oxazolidin-3-yl)but-1-enyl]-3-methylbenzoate (PubChem CID 42598489) has the molecular formula C26H28N2O7 and a molecular weight of 480.52 g/mol. Its IUPAC name is methyl 2-methoxy-5-[(E)-1-(3-methoxy-7-methyl-1,2-benzoxazol-5-yl)-4-(2-oxo-1,3-oxazolidin-3-yl)but-1-enyl]-3-methylbenzoate.

Molecular Properties

Compound Namemethyl 2-methoxy-5-[(E)-1-(3-methoxy-7-methyl-1,2-benzoxazol-5-yl)-4-(2-oxo-1,3-oxazolidin-3-yl)but-1-enyl]-3-methylbenzoate
PubChem CID42598489
Molecular FormulaC26H28N2O7
Molecular Weight480.52 g/mol
Exact Mass480.19
IUPAC Namemethyl 2-methoxy-5-[(E)-1-(3-methoxy-7-methyl-1,2-benzoxazol-5-yl)-4-(2-oxo-1,3-oxazolidin-3-yl)but-1-enyl]-3-methylbenzoate
SMILESCOC(=O)c1cc(/C(=C/CCN2CCOC2=O)c2cc(C)c3onc(OC)c3c2)cc(C)c1OC
InChIInChI=1S/C26H28N2O7/c1-15-11-18(14-21(22(15)31-3)25(29)33-5)19(7-6-8-28-9-10-34-26(28)30)17-12-16(2)23-20(13-17)24(32-4)27-35-23/h7,11-14H,6,8-10H2,1-5H3/b19-7+
InChIKeyQETQHVAOQHNEDW-FBCYGCLPSA-N
XLogP4.52
TPSA100.33 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.52
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze methyl 2-methoxy-5-[(E)-1-(3-methoxy-7-methyl-1,2-benzoxazol-5-yl)-4-(2-oxo-1,3-oxazolidin-3-yl)but-1-enyl]-3-methylbenzoate 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 methyl 2-methoxy-5-[(E)-1-(3-methoxy-7-methyl-1,2-benzoxazol-5-yl)-4-(2-oxo-1,3-oxazolidin-3-yl)but-1-enyl]-3-methylbenzoate?
The IUPAC name of methyl 2-methoxy-5-[(E)-1-(3-methoxy-7-methyl-1,2-benzoxazol-5-yl)-4-(2-oxo-1,3-oxazolidin-3-yl)but-1-enyl]-3-methylbenzoate (CID 42598489) is methyl 2-methoxy-5-[(E)-1-(3-methoxy-7-methyl-1,2-benzoxazol-5-yl)-4-(2-oxo-1,3-oxazolidin-3-yl)but-1-enyl]-3-methylbenzoate.
What is the SMILES notation for methyl 2-methoxy-5-[(E)-1-(3-methoxy-7-methyl-1,2-benzoxazol-5-yl)-4-(2-oxo-1,3-oxazolidin-3-yl)but-1-enyl]-3-methylbenzoate?
The canonical SMILES for methyl 2-methoxy-5-[(E)-1-(3-methoxy-7-methyl-1,2-benzoxazol-5-yl)-4-(2-oxo-1,3-oxazolidin-3-yl)but-1-enyl]-3-methylbenzoate is COC(=O)c1cc(/C(=C/CCN2CCOC2=O)c2cc(C)c3onc(OC)c3c2)cc(C)c1OC.
What is the InChIKey of methyl 2-methoxy-5-[(E)-1-(3-methoxy-7-methyl-1,2-benzoxazol-5-yl)-4-(2-oxo-1,3-oxazolidin-3-yl)but-1-enyl]-3-methylbenzoate?
The InChIKey is QETQHVAOQHNEDW-FBCYGCLPSA-N. The full InChI is InChI=1S/C26H28N2O7/c1-15-11-18(14-21(22(15)31-3)25(29)33-5)19(7-6-8-28-9-10-34-26(28)30)17-12-16(2)23-20(13-17)24(32-4)27-35-23/h7,11-14H,6,8-10H2,1-5H3/b19-7+.
What are the key properties of methyl 2-methoxy-5-[(E)-1-(3-methoxy-7-methyl-1,2-benzoxazol-5-yl)-4-(2-oxo-1,3-oxazolidin-3-yl)but-1-enyl]-3-methylbenzoate?
methyl 2-methoxy-5-[(E)-1-(3-methoxy-7-methyl-1,2-benzoxazol-5-yl)-4-(2-oxo-1,3-oxazolidin-3-yl)but-1-enyl]-3-methylbenzoate has a molecular weight of 480.52 g/mol, XLogP of 4.52, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methoxy-5-[(E)-1-(3-methoxy-7-methyl-1,2-benzoxazol-5-yl)-4-(2-oxo-1,3-oxazolidin-3-yl)but-1-enyl]-3-methylbenzoate is sourced from PubChem (CID 42598489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).