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

C23H34BrN3O3 — CID 150853825

IUPAC(2S)-N-[(1S)-1-(5-bromo-1,3-oxazol-2-yl)-8-cyclopropyl-7-oxooctyl]-6-methyl-6-azaspiro[2.5]octane-2-carboxamide
SMILESCN1CCC2(CC1)C[C@@H]2C(=O)N[C@@H](CCCCCC(=O)CC1CC1)c1ncc(Br)o1
InChIInChI=1S/C23H34BrN3O3/c1-27-11-9-23(10-12-27)14-18(23)21(29)26-19(22-25-15-20(24)30-22)6-4-2-3-5-17(28)13-16-7-8-16/h15-16,18-19H,2-14H2,1H3,(H,26,29)/t18-,19+/m1/s1
InChIKeyKQOUQRMNXILADC-MOPGFXCFSA-N
MW480.45 g/mol
LogP4.65
Rot. Bonds11

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

(2S)-N-[(1S)-1-(5-bromo-1,3-oxazol-2-yl)-8-cyclopropyl-7-oxooctyl]-6-methyl-6-azaspiro[2.5]octane-2-carboxamide (PubChem CID 150853825) has the molecular formula C23H34BrN3O3 and a molecular weight of 480.45 g/mol. Its IUPAC name is (2S)-N-[(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 Name(2S)-N-[(1S)-1-(5-bromo-1,3-oxazol-2-yl)-8-cyclopropyl-7-oxooctyl]-6-methyl-6-azaspiro[2.5]octane-2-carboxamide
PubChem CID150853825
Molecular FormulaC23H34BrN3O3
Molecular Weight480.45 g/mol
Exact Mass479.18
IUPAC Name(2S)-N-[(1S)-1-(5-bromo-1,3-oxazol-2-yl)-8-cyclopropyl-7-oxooctyl]-6-methyl-6-azaspiro[2.5]octane-2-carboxamide
SMILESCN1CCC2(CC1)C[C@@H]2C(=O)N[C@@H](CCCCCC(=O)CC1CC1)c1ncc(Br)o1
InChIInChI=1S/C23H34BrN3O3/c1-27-11-9-23(10-12-27)14-18(23)21(29)26-19(22-25-15-20(24)30-22)6-4-2-3-5-17(28)13-16-7-8-16/h15-16,18-19H,2-14H2,1H3,(H,26,29)/t18-,19+/m1/s1
InChIKeyKQOUQRMNXILADC-MOPGFXCFSA-N
XLogP4.65
TPSA75.44 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 ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(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 (2S)-N-[(1S)-1-(5-bromo-1,3-oxazol-2-yl)-8-cyclopropyl-7-oxooctyl]-6-methyl-6-azaspiro[2.5]octane-2-carboxamide (CID 150853825) is (2S)-N-[(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 (2S)-N-[(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 (2S)-N-[(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)C[C@@H]2C(=O)N[C@@H](CCCCCC(=O)CC1CC1)c1ncc(Br)o1.
What is the InChIKey of (2S)-N-[(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 KQOUQRMNXILADC-MOPGFXCFSA-N. The full InChI is InChI=1S/C23H34BrN3O3/c1-27-11-9-23(10-12-27)14-18(23)21(29)26-19(22-25-15-20(24)30-22)6-4-2-3-5-17(28)13-16-7-8-16/h15-16,18-19H,2-14H2,1H3,(H,26,29)/t18-,19+/m1/s1.
What are the key properties of (2S)-N-[(1S)-1-(5-bromo-1,3-oxazol-2-yl)-8-cyclopropyl-7-oxooctyl]-6-methyl-6-azaspiro[2.5]octane-2-carboxamide?
(2S)-N-[(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 4.65, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(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 150853825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).