2-methyl-4-[2,5,8-trimethyl-5-(4-methyl-1,3-oxazol-2-yl)-8-(5-methyl-1,2-oxazol-3-yl)nonan-2-yl]-1,3-oxazole

C24H35N3O3 — CID 146367104

IUPAC2-methyl-4-[2,5,8-trimethyl-5-(4-methyl-1,3-oxazol-2-yl)-8-(5-methyl-1,2-oxazol-3-yl)nonan-2-yl]-1,3-oxazole
SMILESCc1coc(C(C)(CCC(C)(C)c2cc(C)on2)CCC(C)(C)c2coc(C)n2)n1
InChIInChI=1S/C24H35N3O3/c1-16-14-29-21(25-16)24(8,11-9-22(4,5)19-13-17(2)30-27-19)12-10-23(6,7)20-15-28-18(3)26-20/h13-15H,9-12H2,1-8H3
InChIKeyMEGYDMHFFAADFE-UHFFFAOYSA-N
MW413.56 g/mol
LogP6.35
Rot. Bonds9

About 2-methyl-4-[2,5,8-trimethyl-5-(4-methyl-1,3-oxazol-2-yl)-8-(5-methyl-1,2-oxazol-3-yl)nonan-2-yl]-1,3-oxazole

2-methyl-4-[2,5,8-trimethyl-5-(4-methyl-1,3-oxazol-2-yl)-8-(5-methyl-1,2-oxazol-3-yl)nonan-2-yl]-1,3-oxazole (PubChem CID 146367104) has the molecular formula C24H35N3O3 and a molecular weight of 413.56 g/mol. Its IUPAC name is 2-methyl-4-[2,5,8-trimethyl-5-(4-methyl-1,3-oxazol-2-yl)-8-(5-methyl-1,2-oxazol-3-yl)nonan-2-yl]-1,3-oxazole.

Molecular Properties

Compound Name2-methyl-4-[2,5,8-trimethyl-5-(4-methyl-1,3-oxazol-2-yl)-8-(5-methyl-1,2-oxazol-3-yl)nonan-2-yl]-1,3-oxazole
PubChem CID146367104
Molecular FormulaC24H35N3O3
Molecular Weight413.56 g/mol
Exact Mass413.27
IUPAC Name2-methyl-4-[2,5,8-trimethyl-5-(4-methyl-1,3-oxazol-2-yl)-8-(5-methyl-1,2-oxazol-3-yl)nonan-2-yl]-1,3-oxazole
SMILESCc1coc(C(C)(CCC(C)(C)c2cc(C)on2)CCC(C)(C)c2coc(C)n2)n1
InChIInChI=1S/C24H35N3O3/c1-16-14-29-21(25-16)24(8,11-9-22(4,5)19-13-17(2)30-27-19)12-10-23(6,7)20-15-28-18(3)26-20/h13-15H,9-12H2,1-8H3
InChIKeyMEGYDMHFFAADFE-UHFFFAOYSA-N
XLogP6.35
TPSA78.09 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.56
LogP ≤ 56.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-methyl-4-[2,5,8-trimethyl-5-(4-methyl-1,3-oxazol-2-yl)-8-(5-methyl-1,2-oxazol-3-yl)nonan-2-yl]-1,3-oxazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[2,5,8-trimethyl-5-(4-methyl-1,3-oxazol-2-yl)-8-(5-methyl-1,2-oxazol-3-yl)nonan-2-yl]-1,3-oxazole?
The IUPAC name of 2-methyl-4-[2,5,8-trimethyl-5-(4-methyl-1,3-oxazol-2-yl)-8-(5-methyl-1,2-oxazol-3-yl)nonan-2-yl]-1,3-oxazole (CID 146367104) is 2-methyl-4-[2,5,8-trimethyl-5-(4-methyl-1,3-oxazol-2-yl)-8-(5-methyl-1,2-oxazol-3-yl)nonan-2-yl]-1,3-oxazole.
What is the SMILES notation for 2-methyl-4-[2,5,8-trimethyl-5-(4-methyl-1,3-oxazol-2-yl)-8-(5-methyl-1,2-oxazol-3-yl)nonan-2-yl]-1,3-oxazole?
The canonical SMILES for 2-methyl-4-[2,5,8-trimethyl-5-(4-methyl-1,3-oxazol-2-yl)-8-(5-methyl-1,2-oxazol-3-yl)nonan-2-yl]-1,3-oxazole is Cc1coc(C(C)(CCC(C)(C)c2cc(C)on2)CCC(C)(C)c2coc(C)n2)n1.
What is the InChIKey of 2-methyl-4-[2,5,8-trimethyl-5-(4-methyl-1,3-oxazol-2-yl)-8-(5-methyl-1,2-oxazol-3-yl)nonan-2-yl]-1,3-oxazole?
The InChIKey is MEGYDMHFFAADFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N3O3/c1-16-14-29-21(25-16)24(8,11-9-22(4,5)19-13-17(2)30-27-19)12-10-23(6,7)20-15-28-18(3)26-20/h13-15H,9-12H2,1-8H3.
What are the key properties of 2-methyl-4-[2,5,8-trimethyl-5-(4-methyl-1,3-oxazol-2-yl)-8-(5-methyl-1,2-oxazol-3-yl)nonan-2-yl]-1,3-oxazole?
2-methyl-4-[2,5,8-trimethyl-5-(4-methyl-1,3-oxazol-2-yl)-8-(5-methyl-1,2-oxazol-3-yl)nonan-2-yl]-1,3-oxazole has a molecular weight of 413.56 g/mol, XLogP of 6.35, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[2,5,8-trimethyl-5-(4-methyl-1,3-oxazol-2-yl)-8-(5-methyl-1,2-oxazol-3-yl)nonan-2-yl]-1,3-oxazole is sourced from PubChem (CID 146367104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).