5-[2-(1,1,2,3,3-pentamethyl-2H-inden-5-yl)prop-1-enyl]-1,2-oxazole

C20H25NO — CID 70460531

IUPAC5-[2-(1,1,2,3,3-pentamethyl-2H-inden-5-yl)prop-1-enyl]-1,2-oxazole
SMILESCC(=Cc1ccno1)c1ccc2c(c1)C(C)(C)C(C)C2(C)C
InChIInChI=1S/C20H25NO/c1-13(11-16-9-10-21-22-16)15-7-8-17-18(12-15)20(5,6)14(2)19(17,3)4/h7-12,14H,1-6H3
InChIKeyIIMSCJKHWIMXOC-UHFFFAOYSA-N
MW295.43 g/mol
LogP5.44
Rot. Bonds2

About 5-[2-(1,1,2,3,3-pentamethyl-2H-inden-5-yl)prop-1-enyl]-1,2-oxazole

5-[2-(1,1,2,3,3-pentamethyl-2H-inden-5-yl)prop-1-enyl]-1,2-oxazole (PubChem CID 70460531) has the molecular formula C20H25NO and a molecular weight of 295.43 g/mol. Its IUPAC name is 5-[2-(1,1,2,3,3-pentamethyl-2H-inden-5-yl)prop-1-enyl]-1,2-oxazole.

Molecular Properties

Compound Name5-[2-(1,1,2,3,3-pentamethyl-2H-inden-5-yl)prop-1-enyl]-1,2-oxazole
PubChem CID70460531
Molecular FormulaC20H25NO
Molecular Weight295.43 g/mol
Exact Mass295.19
IUPAC Name5-[2-(1,1,2,3,3-pentamethyl-2H-inden-5-yl)prop-1-enyl]-1,2-oxazole
SMILESCC(=Cc1ccno1)c1ccc2c(c1)C(C)(C)C(C)C2(C)C
InChIInChI=1S/C20H25NO/c1-13(11-16-9-10-21-22-16)15-7-8-17-18(12-15)20(5,6)14(2)19(17,3)4/h7-12,14H,1-6H3
InChIKeyIIMSCJKHWIMXOC-UHFFFAOYSA-N
XLogP5.44
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.43
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(1,1,2,3,3-pentamethyl-2H-inden-5-yl)prop-1-enyl]-1,2-oxazole?
The IUPAC name of 5-[2-(1,1,2,3,3-pentamethyl-2H-inden-5-yl)prop-1-enyl]-1,2-oxazole (CID 70460531) is 5-[2-(1,1,2,3,3-pentamethyl-2H-inden-5-yl)prop-1-enyl]-1,2-oxazole.
What is the SMILES notation for 5-[2-(1,1,2,3,3-pentamethyl-2H-inden-5-yl)prop-1-enyl]-1,2-oxazole?
The canonical SMILES for 5-[2-(1,1,2,3,3-pentamethyl-2H-inden-5-yl)prop-1-enyl]-1,2-oxazole is CC(=Cc1ccno1)c1ccc2c(c1)C(C)(C)C(C)C2(C)C.
What is the InChIKey of 5-[2-(1,1,2,3,3-pentamethyl-2H-inden-5-yl)prop-1-enyl]-1,2-oxazole?
The InChIKey is IIMSCJKHWIMXOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO/c1-13(11-16-9-10-21-22-16)15-7-8-17-18(12-15)20(5,6)14(2)19(17,3)4/h7-12,14H,1-6H3.
What are the key properties of 5-[2-(1,1,2,3,3-pentamethyl-2H-inden-5-yl)prop-1-enyl]-1,2-oxazole?
5-[2-(1,1,2,3,3-pentamethyl-2H-inden-5-yl)prop-1-enyl]-1,2-oxazole has a molecular weight of 295.43 g/mol, XLogP of 5.44, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(1,1,2,3,3-pentamethyl-2H-inden-5-yl)prop-1-enyl]-1,2-oxazole is sourced from PubChem (CID 70460531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).