(2S)-6-methyl-N-[(1S)-7-oxo-1-[5-(4-pyridin-3-ylphenyl)-1,3-oxazol-2-yl]nonyl]-6-azaspiro[2.5]octane-2-carboxamide

C32H40N4O3 — CID 162506865

IUPAC(2S)-6-methyl-N-[(1S)-7-oxo-1-[5-(4-pyridin-3-ylphenyl)-1,3-oxazol-2-yl]nonyl]-6-azaspiro[2.5]octane-2-carboxamide
SMILESCCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC12CCN(C)CC2)c1ncc(-c2ccc(-c3cccnc3)cc2)o1
InChIInChI=1S/C32H40N4O3/c1-3-26(37)9-5-4-6-10-28(35-30(38)27-20-32(27)15-18-36(2)19-16-32)31-34-22-29(39-31)24-13-11-23(12-14-24)25-8-7-17-33-21-25/h7-8,11-14,17,21-22,27-28H,3-6,9-10,15-16,18-20H2,1-2H3,(H,35,38)/t27-,28+/m1/s1
InChIKeyFCWOOKFVJLJSCB-IZLXSDGUSA-N
MW528.70 g/mol
LogP6.22
Rot. Bonds12

About (2S)-6-methyl-N-[(1S)-7-oxo-1-[5-(4-pyridin-3-ylphenyl)-1,3-oxazol-2-yl]nonyl]-6-azaspiro[2.5]octane-2-carboxamide

(2S)-6-methyl-N-[(1S)-7-oxo-1-[5-(4-pyridin-3-ylphenyl)-1,3-oxazol-2-yl]nonyl]-6-azaspiro[2.5]octane-2-carboxamide (PubChem CID 162506865) has the molecular formula C32H40N4O3 and a molecular weight of 528.70 g/mol. Its IUPAC name is (2S)-6-methyl-N-[(1S)-7-oxo-1-[5-(4-pyridin-3-ylphenyl)-1,3-oxazol-2-yl]nonyl]-6-azaspiro[2.5]octane-2-carboxamide.

Molecular Properties

Compound Name(2S)-6-methyl-N-[(1S)-7-oxo-1-[5-(4-pyridin-3-ylphenyl)-1,3-oxazol-2-yl]nonyl]-6-azaspiro[2.5]octane-2-carboxamide
PubChem CID162506865
Molecular FormulaC32H40N4O3
Molecular Weight528.70 g/mol
Exact Mass528.31
IUPAC Name(2S)-6-methyl-N-[(1S)-7-oxo-1-[5-(4-pyridin-3-ylphenyl)-1,3-oxazol-2-yl]nonyl]-6-azaspiro[2.5]octane-2-carboxamide
SMILESCCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC12CCN(C)CC2)c1ncc(-c2ccc(-c3cccnc3)cc2)o1
InChIInChI=1S/C32H40N4O3/c1-3-26(37)9-5-4-6-10-28(35-30(38)27-20-32(27)15-18-36(2)19-16-32)31-34-22-29(39-31)24-13-11-23(12-14-24)25-8-7-17-33-21-25/h7-8,11-14,17,21-22,27-28H,3-6,9-10,15-16,18-20H2,1-2H3,(H,35,38)/t27-,28+/m1/s1
InChIKeyFCWOOKFVJLJSCB-IZLXSDGUSA-N
XLogP6.22
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.70
LogP ≤ 56.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (2S)-6-methyl-N-[(1S)-7-oxo-1-[5-(4-pyridin-3-ylphenyl)-1,3-oxazol-2-yl]nonyl]-6-azaspiro[2.5]octane-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-6-methyl-N-[(1S)-7-oxo-1-[5-(4-pyridin-3-ylphenyl)-1,3-oxazol-2-yl]nonyl]-6-azaspiro[2.5]octane-2-carboxamide?
The IUPAC name of (2S)-6-methyl-N-[(1S)-7-oxo-1-[5-(4-pyridin-3-ylphenyl)-1,3-oxazol-2-yl]nonyl]-6-azaspiro[2.5]octane-2-carboxamide (CID 162506865) is (2S)-6-methyl-N-[(1S)-7-oxo-1-[5-(4-pyridin-3-ylphenyl)-1,3-oxazol-2-yl]nonyl]-6-azaspiro[2.5]octane-2-carboxamide.
What is the SMILES notation for (2S)-6-methyl-N-[(1S)-7-oxo-1-[5-(4-pyridin-3-ylphenyl)-1,3-oxazol-2-yl]nonyl]-6-azaspiro[2.5]octane-2-carboxamide?
The canonical SMILES for (2S)-6-methyl-N-[(1S)-7-oxo-1-[5-(4-pyridin-3-ylphenyl)-1,3-oxazol-2-yl]nonyl]-6-azaspiro[2.5]octane-2-carboxamide is CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC12CCN(C)CC2)c1ncc(-c2ccc(-c3cccnc3)cc2)o1.
What is the InChIKey of (2S)-6-methyl-N-[(1S)-7-oxo-1-[5-(4-pyridin-3-ylphenyl)-1,3-oxazol-2-yl]nonyl]-6-azaspiro[2.5]octane-2-carboxamide?
The InChIKey is FCWOOKFVJLJSCB-IZLXSDGUSA-N. The full InChI is InChI=1S/C32H40N4O3/c1-3-26(37)9-5-4-6-10-28(35-30(38)27-20-32(27)15-18-36(2)19-16-32)31-34-22-29(39-31)24-13-11-23(12-14-24)25-8-7-17-33-21-25/h7-8,11-14,17,21-22,27-28H,3-6,9-10,15-16,18-20H2,1-2H3,(H,35,38)/t27-,28+/m1/s1.
What are the key properties of (2S)-6-methyl-N-[(1S)-7-oxo-1-[5-(4-pyridin-3-ylphenyl)-1,3-oxazol-2-yl]nonyl]-6-azaspiro[2.5]octane-2-carboxamide?
(2S)-6-methyl-N-[(1S)-7-oxo-1-[5-(4-pyridin-3-ylphenyl)-1,3-oxazol-2-yl]nonyl]-6-azaspiro[2.5]octane-2-carboxamide has a molecular weight of 528.70 g/mol, XLogP of 6.22, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-6-methyl-N-[(1S)-7-oxo-1-[5-(4-pyridin-3-ylphenyl)-1,3-oxazol-2-yl]nonyl]-6-azaspiro[2.5]octane-2-carboxamide is sourced from PubChem (CID 162506865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).