2-tert-butyl-5-[2-methyl-2-[5-[2-methyl-3-(1,2-oxazol-3-yl)propyl]-4,5-dihydro-1,3-oxazol-2-yl]propyl]-1,3-oxazole

C21H31N3O3 — CID 155476396

IUPAC2-tert-butyl-5-[2-methyl-2-[5-[2-methyl-3-(1,2-oxazol-3-yl)propyl]-4,5-dihydro-1,3-oxazol-2-yl]propyl]-1,3-oxazole
SMILESCC(Cc1ccon1)CC1CN=C(C(C)(C)Cc2cnc(C(C)(C)C)o2)O1
InChIInChI=1S/C21H31N3O3/c1-14(9-15-7-8-25-24-15)10-16-12-23-19(26-16)21(5,6)11-17-13-22-18(27-17)20(2,3)4/h7-8,13-14,16H,9-12H2,1-6H3
InChIKeyNKBWAIDHXZYNJR-UHFFFAOYSA-N
MW373.50 g/mol
LogP4.59
Rot. Bonds7

About 2-tert-butyl-5-[2-methyl-2-[5-[2-methyl-3-(1,2-oxazol-3-yl)propyl]-4,5-dihydro-1,3-oxazol-2-yl]propyl]-1,3-oxazole

2-tert-butyl-5-[2-methyl-2-[5-[2-methyl-3-(1,2-oxazol-3-yl)propyl]-4,5-dihydro-1,3-oxazol-2-yl]propyl]-1,3-oxazole (PubChem CID 155476396) has the molecular formula C21H31N3O3 and a molecular weight of 373.50 g/mol. Its IUPAC name is 2-tert-butyl-5-[2-methyl-2-[5-[2-methyl-3-(1,2-oxazol-3-yl)propyl]-4,5-dihydro-1,3-oxazol-2-yl]propyl]-1,3-oxazole.

Molecular Properties

Compound Name2-tert-butyl-5-[2-methyl-2-[5-[2-methyl-3-(1,2-oxazol-3-yl)propyl]-4,5-dihydro-1,3-oxazol-2-yl]propyl]-1,3-oxazole
PubChem CID155476396
Molecular FormulaC21H31N3O3
Molecular Weight373.50 g/mol
Exact Mass373.24
IUPAC Name2-tert-butyl-5-[2-methyl-2-[5-[2-methyl-3-(1,2-oxazol-3-yl)propyl]-4,5-dihydro-1,3-oxazol-2-yl]propyl]-1,3-oxazole
SMILESCC(Cc1ccon1)CC1CN=C(C(C)(C)Cc2cnc(C(C)(C)C)o2)O1
InChIInChI=1S/C21H31N3O3/c1-14(9-15-7-8-25-24-15)10-16-12-23-19(26-16)21(5,6)11-17-13-22-18(27-17)20(2,3)4/h7-8,13-14,16H,9-12H2,1-6H3
InChIKeyNKBWAIDHXZYNJR-UHFFFAOYSA-N
XLogP4.59
TPSA73.65 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-tert-butyl-5-[2-methyl-2-[5-[2-methyl-3-(1,2-oxazol-3-yl)propyl]-4,5-dihydro-1,3-oxazol-2-yl]propyl]-1,3-oxazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-[2-methyl-2-[5-[2-methyl-3-(1,2-oxazol-3-yl)propyl]-4,5-dihydro-1,3-oxazol-2-yl]propyl]-1,3-oxazole?
The IUPAC name of 2-tert-butyl-5-[2-methyl-2-[5-[2-methyl-3-(1,2-oxazol-3-yl)propyl]-4,5-dihydro-1,3-oxazol-2-yl]propyl]-1,3-oxazole (CID 155476396) is 2-tert-butyl-5-[2-methyl-2-[5-[2-methyl-3-(1,2-oxazol-3-yl)propyl]-4,5-dihydro-1,3-oxazol-2-yl]propyl]-1,3-oxazole.
What is the SMILES notation for 2-tert-butyl-5-[2-methyl-2-[5-[2-methyl-3-(1,2-oxazol-3-yl)propyl]-4,5-dihydro-1,3-oxazol-2-yl]propyl]-1,3-oxazole?
The canonical SMILES for 2-tert-butyl-5-[2-methyl-2-[5-[2-methyl-3-(1,2-oxazol-3-yl)propyl]-4,5-dihydro-1,3-oxazol-2-yl]propyl]-1,3-oxazole is CC(Cc1ccon1)CC1CN=C(C(C)(C)Cc2cnc(C(C)(C)C)o2)O1.
What is the InChIKey of 2-tert-butyl-5-[2-methyl-2-[5-[2-methyl-3-(1,2-oxazol-3-yl)propyl]-4,5-dihydro-1,3-oxazol-2-yl]propyl]-1,3-oxazole?
The InChIKey is NKBWAIDHXZYNJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O3/c1-14(9-15-7-8-25-24-15)10-16-12-23-19(26-16)21(5,6)11-17-13-22-18(27-17)20(2,3)4/h7-8,13-14,16H,9-12H2,1-6H3.
What are the key properties of 2-tert-butyl-5-[2-methyl-2-[5-[2-methyl-3-(1,2-oxazol-3-yl)propyl]-4,5-dihydro-1,3-oxazol-2-yl]propyl]-1,3-oxazole?
2-tert-butyl-5-[2-methyl-2-[5-[2-methyl-3-(1,2-oxazol-3-yl)propyl]-4,5-dihydro-1,3-oxazol-2-yl]propyl]-1,3-oxazole has a molecular weight of 373.50 g/mol, XLogP of 4.59, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-[2-methyl-2-[5-[2-methyl-3-(1,2-oxazol-3-yl)propyl]-4,5-dihydro-1,3-oxazol-2-yl]propyl]-1,3-oxazole is sourced from PubChem (CID 155476396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).