2-[(1S)-1-(5-bromo-1,3-oxazol-2-yl)-8-cyclopropyl-7-oxooctyl]-6-methyl-6-azaspiro[2.5]octane-2-carboxamide

C23H34BrN3O3 — CID 162506562

IUPAC2-[(1S)-1-(5-bromo-1,3-oxazol-2-yl)-8-cyclopropyl-7-oxooctyl]-6-methyl-6-azaspiro[2.5]octane-2-carboxamide
SMILESCN1CCC2(CC1)CC2(C(N)=O)[C@H](CCCCCC(=O)CC1CC1)c1ncc(Br)o1
InChIInChI=1S/C23H34BrN3O3/c1-27-11-9-22(10-12-27)15-23(22,21(25)29)18(20-26-14-19(24)30-20)6-4-2-3-5-17(28)13-16-7-8-16/h14,16,18H,2-13,15H2,1H3,(H2,25,29)/t18-,23?/m1/s1
InChIKeyZAQVKCFONGCODI-FKSKYRLFSA-N
MW480.45 g/mol
LogP4.43
Rot. Bonds11

About 2-[(1S)-1-(5-bromo-1,3-oxazol-2-yl)-8-cyclopropyl-7-oxooctyl]-6-methyl-6-azaspiro[2.5]octane-2-carboxamide

2-[(1S)-1-(5-bromo-1,3-oxazol-2-yl)-8-cyclopropyl-7-oxooctyl]-6-methyl-6-azaspiro[2.5]octane-2-carboxamide (PubChem CID 162506562) has the molecular formula C23H34BrN3O3 and a molecular weight of 480.45 g/mol. Its IUPAC name is 2-[(1S)-1-(5-bromo-1,3-oxazol-2-yl)-8-cyclopropyl-7-oxooctyl]-6-methyl-6-azaspiro[2.5]octane-2-carboxamide.

Molecular Properties

Compound Name2-[(1S)-1-(5-bromo-1,3-oxazol-2-yl)-8-cyclopropyl-7-oxooctyl]-6-methyl-6-azaspiro[2.5]octane-2-carboxamide
PubChem CID162506562
Molecular FormulaC23H34BrN3O3
Molecular Weight480.45 g/mol
Exact Mass479.18
IUPAC Name2-[(1S)-1-(5-bromo-1,3-oxazol-2-yl)-8-cyclopropyl-7-oxooctyl]-6-methyl-6-azaspiro[2.5]octane-2-carboxamide
SMILESCN1CCC2(CC1)CC2(C(N)=O)[C@H](CCCCCC(=O)CC1CC1)c1ncc(Br)o1
InChIInChI=1S/C23H34BrN3O3/c1-27-11-9-22(10-12-27)15-23(22,21(25)29)18(20-26-14-19(24)30-20)6-4-2-3-5-17(28)13-16-7-8-16/h14,16,18H,2-13,15H2,1H3,(H2,25,29)/t18-,23?/m1/s1
InChIKeyZAQVKCFONGCODI-FKSKYRLFSA-N
XLogP4.43
TPSA89.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.45
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1-(5-bromo-1,3-oxazol-2-yl)-8-cyclopropyl-7-oxooctyl]-6-methyl-6-azaspiro[2.5]octane-2-carboxamide?
The IUPAC name of 2-[(1S)-1-(5-bromo-1,3-oxazol-2-yl)-8-cyclopropyl-7-oxooctyl]-6-methyl-6-azaspiro[2.5]octane-2-carboxamide (CID 162506562) is 2-[(1S)-1-(5-bromo-1,3-oxazol-2-yl)-8-cyclopropyl-7-oxooctyl]-6-methyl-6-azaspiro[2.5]octane-2-carboxamide.
What is the SMILES notation for 2-[(1S)-1-(5-bromo-1,3-oxazol-2-yl)-8-cyclopropyl-7-oxooctyl]-6-methyl-6-azaspiro[2.5]octane-2-carboxamide?
The canonical SMILES for 2-[(1S)-1-(5-bromo-1,3-oxazol-2-yl)-8-cyclopropyl-7-oxooctyl]-6-methyl-6-azaspiro[2.5]octane-2-carboxamide is CN1CCC2(CC1)CC2(C(N)=O)[C@H](CCCCCC(=O)CC1CC1)c1ncc(Br)o1.
What is the InChIKey of 2-[(1S)-1-(5-bromo-1,3-oxazol-2-yl)-8-cyclopropyl-7-oxooctyl]-6-methyl-6-azaspiro[2.5]octane-2-carboxamide?
The InChIKey is ZAQVKCFONGCODI-FKSKYRLFSA-N. The full InChI is InChI=1S/C23H34BrN3O3/c1-27-11-9-22(10-12-27)15-23(22,21(25)29)18(20-26-14-19(24)30-20)6-4-2-3-5-17(28)13-16-7-8-16/h14,16,18H,2-13,15H2,1H3,(H2,25,29)/t18-,23?/m1/s1.
What are the key properties of 2-[(1S)-1-(5-bromo-1,3-oxazol-2-yl)-8-cyclopropyl-7-oxooctyl]-6-methyl-6-azaspiro[2.5]octane-2-carboxamide?
2-[(1S)-1-(5-bromo-1,3-oxazol-2-yl)-8-cyclopropyl-7-oxooctyl]-6-methyl-6-azaspiro[2.5]octane-2-carboxamide has a molecular weight of 480.45 g/mol, XLogP of 4.43, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-1-(5-bromo-1,3-oxazol-2-yl)-8-cyclopropyl-7-oxooctyl]-6-methyl-6-azaspiro[2.5]octane-2-carboxamide is sourced from PubChem (CID 162506562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).