methyl 2-[[3-[5-[(3Z)-3-[(Z)-but-2-enylidene]-2H-indol-1-yl]pentyl]-1,2-oxazol-5-yl]methoxy]-2-methylpropanoate

C26H34N2O4 — CID 142874422

IUPACmethyl 2-[[3-[5-[(3Z)-3-[(Z)-but-2-enylidene]-2H-indol-1-yl]pentyl]-1,2-oxazol-5-yl]methoxy]-2-methylpropanoate
SMILESC/C=C\C=C1/CN(CCCCCc2cc(COC(C)(C)C(=O)OC)on2)c2ccccc21
InChIInChI=1S/C26H34N2O4/c1-5-6-12-20-18-28(24-15-10-9-14-23(20)24)16-11-7-8-13-21-17-22(32-27-21)19-31-26(2,3)25(29)30-4/h5-6,9-10,12,14-15,17H,7-8,11,13,16,18-19H2,1-4H3/b6-5-,20-12+
InChIKeyRHVDMIZFHUBEFP-CIVRDUPRSA-N
MW438.57 g/mol
LogP5.34
Rot. Bonds11

About methyl 2-[[3-[5-[(3Z)-3-[(Z)-but-2-enylidene]-2H-indol-1-yl]pentyl]-1,2-oxazol-5-yl]methoxy]-2-methylpropanoate

methyl 2-[[3-[5-[(3Z)-3-[(Z)-but-2-enylidene]-2H-indol-1-yl]pentyl]-1,2-oxazol-5-yl]methoxy]-2-methylpropanoate (PubChem CID 142874422) has the molecular formula C26H34N2O4 and a molecular weight of 438.57 g/mol. Its IUPAC name is methyl 2-[[3-[5-[(3Z)-3-[(Z)-but-2-enylidene]-2H-indol-1-yl]pentyl]-1,2-oxazol-5-yl]methoxy]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-[[3-[5-[(3Z)-3-[(Z)-but-2-enylidene]-2H-indol-1-yl]pentyl]-1,2-oxazol-5-yl]methoxy]-2-methylpropanoate
PubChem CID142874422
Molecular FormulaC26H34N2O4
Molecular Weight438.57 g/mol
Exact Mass438.25
IUPAC Namemethyl 2-[[3-[5-[(3Z)-3-[(Z)-but-2-enylidene]-2H-indol-1-yl]pentyl]-1,2-oxazol-5-yl]methoxy]-2-methylpropanoate
SMILESC/C=C\C=C1/CN(CCCCCc2cc(COC(C)(C)C(=O)OC)on2)c2ccccc21
InChIInChI=1S/C26H34N2O4/c1-5-6-12-20-18-28(24-15-10-9-14-23(20)24)16-11-7-8-13-21-17-22(32-27-21)19-31-26(2,3)25(29)30-4/h5-6,9-10,12,14-15,17H,7-8,11,13,16,18-19H2,1-4H3/b6-5-,20-12+
InChIKeyRHVDMIZFHUBEFP-CIVRDUPRSA-N
XLogP5.34
TPSA64.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.57
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze methyl 2-[[3-[5-[(3Z)-3-[(Z)-but-2-enylidene]-2H-indol-1-yl]pentyl]-1,2-oxazol-5-yl]methoxy]-2-methylpropanoate 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-[[3-[5-[(3Z)-3-[(Z)-but-2-enylidene]-2H-indol-1-yl]pentyl]-1,2-oxazol-5-yl]methoxy]-2-methylpropanoate?
The IUPAC name of methyl 2-[[3-[5-[(3Z)-3-[(Z)-but-2-enylidene]-2H-indol-1-yl]pentyl]-1,2-oxazol-5-yl]methoxy]-2-methylpropanoate (CID 142874422) is methyl 2-[[3-[5-[(3Z)-3-[(Z)-but-2-enylidene]-2H-indol-1-yl]pentyl]-1,2-oxazol-5-yl]methoxy]-2-methylpropanoate.
What is the SMILES notation for methyl 2-[[3-[5-[(3Z)-3-[(Z)-but-2-enylidene]-2H-indol-1-yl]pentyl]-1,2-oxazol-5-yl]methoxy]-2-methylpropanoate?
The canonical SMILES for methyl 2-[[3-[5-[(3Z)-3-[(Z)-but-2-enylidene]-2H-indol-1-yl]pentyl]-1,2-oxazol-5-yl]methoxy]-2-methylpropanoate is C/C=C\C=C1/CN(CCCCCc2cc(COC(C)(C)C(=O)OC)on2)c2ccccc21.
What is the InChIKey of methyl 2-[[3-[5-[(3Z)-3-[(Z)-but-2-enylidene]-2H-indol-1-yl]pentyl]-1,2-oxazol-5-yl]methoxy]-2-methylpropanoate?
The InChIKey is RHVDMIZFHUBEFP-CIVRDUPRSA-N. The full InChI is InChI=1S/C26H34N2O4/c1-5-6-12-20-18-28(24-15-10-9-14-23(20)24)16-11-7-8-13-21-17-22(32-27-21)19-31-26(2,3)25(29)30-4/h5-6,9-10,12,14-15,17H,7-8,11,13,16,18-19H2,1-4H3/b6-5-,20-12+.
What are the key properties of methyl 2-[[3-[5-[(3Z)-3-[(Z)-but-2-enylidene]-2H-indol-1-yl]pentyl]-1,2-oxazol-5-yl]methoxy]-2-methylpropanoate?
methyl 2-[[3-[5-[(3Z)-3-[(Z)-but-2-enylidene]-2H-indol-1-yl]pentyl]-1,2-oxazol-5-yl]methoxy]-2-methylpropanoate has a molecular weight of 438.57 g/mol, XLogP of 5.34, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[3-[5-[(3Z)-3-[(Z)-but-2-enylidene]-2H-indol-1-yl]pentyl]-1,2-oxazol-5-yl]methoxy]-2-methylpropanoate is sourced from PubChem (CID 142874422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).