ethyl [5-[(E)-2-(1,1,2,3,3-pentamethyl-2H-inden-5-yl)prop-1-enyl]-1,2-oxazol-3-yl] carbonate

C23H29NO4 — CID 70459470

IUPACethyl [5-[(E)-2-(1,1,2,3,3-pentamethyl-2H-inden-5-yl)prop-1-enyl]-1,2-oxazol-3-yl] carbonate
SMILESCCOC(=O)Oc1cc(/C=C(\C)c2ccc3c(c2)C(C)(C)C(C)C3(C)C)on1
InChIInChI=1S/C23H29NO4/c1-8-26-21(25)27-20-13-17(28-24-20)11-14(2)16-9-10-18-19(12-16)23(6,7)15(3)22(18,4)5/h9-13,15H,8H2,1-7H3/b14-11+
InChIKeyXULLODCHTOVLAB-SDNWHVSQSA-N
MW383.49 g/mol
LogP5.98
Rot. Bonds4

About ethyl [5-[(E)-2-(1,1,2,3,3-pentamethyl-2H-inden-5-yl)prop-1-enyl]-1,2-oxazol-3-yl] carbonate

ethyl [5-[(E)-2-(1,1,2,3,3-pentamethyl-2H-inden-5-yl)prop-1-enyl]-1,2-oxazol-3-yl] carbonate (PubChem CID 70459470) has the molecular formula C23H29NO4 and a molecular weight of 383.49 g/mol. Its IUPAC name is ethyl [5-[(E)-2-(1,1,2,3,3-pentamethyl-2H-inden-5-yl)prop-1-enyl]-1,2-oxazol-3-yl] carbonate.

Molecular Properties

Compound Nameethyl [5-[(E)-2-(1,1,2,3,3-pentamethyl-2H-inden-5-yl)prop-1-enyl]-1,2-oxazol-3-yl] carbonate
PubChem CID70459470
Molecular FormulaC23H29NO4
Molecular Weight383.49 g/mol
Exact Mass383.21
IUPAC Nameethyl [5-[(E)-2-(1,1,2,3,3-pentamethyl-2H-inden-5-yl)prop-1-enyl]-1,2-oxazol-3-yl] carbonate
SMILESCCOC(=O)Oc1cc(/C=C(\C)c2ccc3c(c2)C(C)(C)C(C)C3(C)C)on1
InChIInChI=1S/C23H29NO4/c1-8-26-21(25)27-20-13-17(28-24-20)11-14(2)16-9-10-18-19(12-16)23(6,7)15(3)22(18,4)5/h9-13,15H,8H2,1-7H3/b14-11+
InChIKeyXULLODCHTOVLAB-SDNWHVSQSA-N
XLogP5.98
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.49
LogP ≤ 55.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl [5-[(E)-2-(1,1,2,3,3-pentamethyl-2H-inden-5-yl)prop-1-enyl]-1,2-oxazol-3-yl] carbonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[5-[(E)-2-(3-fluoro-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]-1,2-oxazol-3-yl] hydrogen carbonate
CID 70459609
[5-[(E)-2-(1,1,2,3,3-pentamethyl-2H-inden-5-yl)prop-1-enyl]-1,2-oxazol-3-yl] carbamate
CID 70459719
[5-[(E)-2-(1,1,2,3,3-pentamethyl-2H-inden-5-yl)prop-1-enyl]-1,2-oxazol-3-yl] hydrogen carbonate
CID 70460025

Frequently Asked Questions

What is the IUPAC name of ethyl [5-[(E)-2-(1,1,2,3,3-pentamethyl-2H-inden-5-yl)prop-1-enyl]-1,2-oxazol-3-yl] carbonate?
The IUPAC name of ethyl [5-[(E)-2-(1,1,2,3,3-pentamethyl-2H-inden-5-yl)prop-1-enyl]-1,2-oxazol-3-yl] carbonate (CID 70459470) is ethyl [5-[(E)-2-(1,1,2,3,3-pentamethyl-2H-inden-5-yl)prop-1-enyl]-1,2-oxazol-3-yl] carbonate.
What is the SMILES notation for ethyl [5-[(E)-2-(1,1,2,3,3-pentamethyl-2H-inden-5-yl)prop-1-enyl]-1,2-oxazol-3-yl] carbonate?
The canonical SMILES for ethyl [5-[(E)-2-(1,1,2,3,3-pentamethyl-2H-inden-5-yl)prop-1-enyl]-1,2-oxazol-3-yl] carbonate is CCOC(=O)Oc1cc(/C=C(\C)c2ccc3c(c2)C(C)(C)C(C)C3(C)C)on1.
What is the InChIKey of ethyl [5-[(E)-2-(1,1,2,3,3-pentamethyl-2H-inden-5-yl)prop-1-enyl]-1,2-oxazol-3-yl] carbonate?
The InChIKey is XULLODCHTOVLAB-SDNWHVSQSA-N. The full InChI is InChI=1S/C23H29NO4/c1-8-26-21(25)27-20-13-17(28-24-20)11-14(2)16-9-10-18-19(12-16)23(6,7)15(3)22(18,4)5/h9-13,15H,8H2,1-7H3/b14-11+.
What are the key properties of ethyl [5-[(E)-2-(1,1,2,3,3-pentamethyl-2H-inden-5-yl)prop-1-enyl]-1,2-oxazol-3-yl] carbonate?
ethyl [5-[(E)-2-(1,1,2,3,3-pentamethyl-2H-inden-5-yl)prop-1-enyl]-1,2-oxazol-3-yl] carbonate has a molecular weight of 383.49 g/mol, XLogP of 5.98, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl [5-[(E)-2-(1,1,2,3,3-pentamethyl-2H-inden-5-yl)prop-1-enyl]-1,2-oxazol-3-yl] carbonate is sourced from PubChem (CID 70459470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).