[5-[(E)-2-(1,1,2,3,3-pentamethyl-2H-inden-5-yl)prop-1-enyl]-1,2-oxazol-3-yl] N-(2,3-dihydroxypropyl)carbamate

C24H32N2O5 — CID 70459768

IUPAC[5-[(E)-2-(1,1,2,3,3-pentamethyl-2H-inden-5-yl)prop-1-enyl]-1,2-oxazol-3-yl] N-(2,3-dihydroxypropyl)carbamate
SMILESC/C(=C\c1cc(OC(=O)NCC(O)CO)no1)c1ccc2c(c1)C(C)(C)C(C)C2(C)C
InChIInChI=1S/C24H32N2O5/c1-14(9-18-11-21(26-31-18)30-22(29)25-12-17(28)13-27)16-7-8-19-20(10-16)24(5,6)15(2)23(19,3)4/h7-11,15,17,27-28H,12-13H2,1-6H3,(H,25,29)/b14-9+
InChIKeyNAFBKFMJXOMMAQ-NTEUORMPSA-N
MW428.53 g/mol
LogP3.88
Rot. Bonds6

About [5-[(E)-2-(1,1,2,3,3-pentamethyl-2H-inden-5-yl)prop-1-enyl]-1,2-oxazol-3-yl] N-(2,3-dihydroxypropyl)carbamate

[5-[(E)-2-(1,1,2,3,3-pentamethyl-2H-inden-5-yl)prop-1-enyl]-1,2-oxazol-3-yl] N-(2,3-dihydroxypropyl)carbamate (PubChem CID 70459768) has the molecular formula C24H32N2O5 and a molecular weight of 428.53 g/mol. Its IUPAC name is [5-[(E)-2-(1,1,2,3,3-pentamethyl-2H-inden-5-yl)prop-1-enyl]-1,2-oxazol-3-yl] N-(2,3-dihydroxypropyl)carbamate.

Molecular Properties

Compound Name[5-[(E)-2-(1,1,2,3,3-pentamethyl-2H-inden-5-yl)prop-1-enyl]-1,2-oxazol-3-yl] N-(2,3-dihydroxypropyl)carbamate
PubChem CID70459768
Molecular FormulaC24H32N2O5
Molecular Weight428.53 g/mol
Exact Mass428.23
IUPAC Name[5-[(E)-2-(1,1,2,3,3-pentamethyl-2H-inden-5-yl)prop-1-enyl]-1,2-oxazol-3-yl] N-(2,3-dihydroxypropyl)carbamate
SMILESC/C(=C\c1cc(OC(=O)NCC(O)CO)no1)c1ccc2c(c1)C(C)(C)C(C)C2(C)C
InChIInChI=1S/C24H32N2O5/c1-14(9-18-11-21(26-31-18)30-22(29)25-12-17(28)13-27)16-7-8-19-20(10-16)24(5,6)15(2)23(19,3)4/h7-11,15,17,27-28H,12-13H2,1-6H3,(H,25,29)/b14-9+
InChIKeyNAFBKFMJXOMMAQ-NTEUORMPSA-N
XLogP3.88
TPSA104.82 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.53
LogP ≤ 53.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

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Frequently Asked Questions

What is the IUPAC name of [5-[(E)-2-(1,1,2,3,3-pentamethyl-2H-inden-5-yl)prop-1-enyl]-1,2-oxazol-3-yl] N-(2,3-dihydroxypropyl)carbamate?
The IUPAC name of [5-[(E)-2-(1,1,2,3,3-pentamethyl-2H-inden-5-yl)prop-1-enyl]-1,2-oxazol-3-yl] N-(2,3-dihydroxypropyl)carbamate (CID 70459768) is [5-[(E)-2-(1,1,2,3,3-pentamethyl-2H-inden-5-yl)prop-1-enyl]-1,2-oxazol-3-yl] N-(2,3-dihydroxypropyl)carbamate.
What is the SMILES notation for [5-[(E)-2-(1,1,2,3,3-pentamethyl-2H-inden-5-yl)prop-1-enyl]-1,2-oxazol-3-yl] N-(2,3-dihydroxypropyl)carbamate?
The canonical SMILES for [5-[(E)-2-(1,1,2,3,3-pentamethyl-2H-inden-5-yl)prop-1-enyl]-1,2-oxazol-3-yl] N-(2,3-dihydroxypropyl)carbamate is C/C(=C\c1cc(OC(=O)NCC(O)CO)no1)c1ccc2c(c1)C(C)(C)C(C)C2(C)C.
What is the InChIKey of [5-[(E)-2-(1,1,2,3,3-pentamethyl-2H-inden-5-yl)prop-1-enyl]-1,2-oxazol-3-yl] N-(2,3-dihydroxypropyl)carbamate?
The InChIKey is NAFBKFMJXOMMAQ-NTEUORMPSA-N. The full InChI is InChI=1S/C24H32N2O5/c1-14(9-18-11-21(26-31-18)30-22(29)25-12-17(28)13-27)16-7-8-19-20(10-16)24(5,6)15(2)23(19,3)4/h7-11,15,17,27-28H,12-13H2,1-6H3,(H,25,29)/b14-9+.
What are the key properties of [5-[(E)-2-(1,1,2,3,3-pentamethyl-2H-inden-5-yl)prop-1-enyl]-1,2-oxazol-3-yl] N-(2,3-dihydroxypropyl)carbamate?
[5-[(E)-2-(1,1,2,3,3-pentamethyl-2H-inden-5-yl)prop-1-enyl]-1,2-oxazol-3-yl] N-(2,3-dihydroxypropyl)carbamate has a molecular weight of 428.53 g/mol, XLogP of 3.88, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(E)-2-(1,1,2,3,3-pentamethyl-2H-inden-5-yl)prop-1-enyl]-1,2-oxazol-3-yl] N-(2,3-dihydroxypropyl)carbamate is sourced from PubChem (CID 70459768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).