(3,5-dimethyl-1,2-oxazol-4-yl)-[(5S)-2-(3-phenylphenyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone

C26H29N3O2 — CID 3233338

IUPAC(3,5-dimethyl-1,2-oxazol-4-yl)-[(5S)-2-(3-phenylphenyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone
SMILESCc1noc(C)c1C(=O)N1CCC[C@@]2(CCN(c3cccc(-c4ccccc4)c3)C2)C1
InChIInChI=1S/C26H29N3O2/c1-19-24(20(2)31-27-19)25(30)29-14-7-12-26(18-29)13-15-28(17-26)23-11-6-10-22(16-23)21-8-4-3-5-9-21/h3-6,8-11,16H,7,12-15,17-18H2,1-2H3/t26-/m0/s1
InChIKeyPINCGCHKSKHLCL-SANMLTNESA-N
MW415.54 g/mol
LogP5.09
Rot. Bonds3

About (3,5-dimethyl-1,2-oxazol-4-yl)-[(5S)-2-(3-phenylphenyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone

(3,5-dimethyl-1,2-oxazol-4-yl)-[(5S)-2-(3-phenylphenyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone (PubChem CID 3233338) has the molecular formula C26H29N3O2 and a molecular weight of 415.54 g/mol. Its IUPAC name is (3,5-dimethyl-1,2-oxazol-4-yl)-[(5S)-2-(3-phenylphenyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone.

Molecular Properties

Compound Name(3,5-dimethyl-1,2-oxazol-4-yl)-[(5S)-2-(3-phenylphenyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone
PubChem CID3233338
Molecular FormulaC26H29N3O2
Molecular Weight415.54 g/mol
Exact Mass415.23
IUPAC Name(3,5-dimethyl-1,2-oxazol-4-yl)-[(5S)-2-(3-phenylphenyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone
SMILESCc1noc(C)c1C(=O)N1CCC[C@@]2(CCN(c3cccc(-c4ccccc4)c3)C2)C1
InChIInChI=1S/C26H29N3O2/c1-19-24(20(2)31-27-19)25(30)29-14-7-12-26(18-29)13-15-28(17-26)23-11-6-10-22(16-23)21-8-4-3-5-9-21/h3-6,8-11,16H,7,12-15,17-18H2,1-2H3/t26-/m0/s1
InChIKeyPINCGCHKSKHLCL-SANMLTNESA-N
XLogP5.09
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.54
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3,5-dimethyl-1,2-oxazol-4-yl)-[(5S)-2-(3-phenylphenyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone 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 (3,5-dimethyl-1,2-oxazol-4-yl)-[(5S)-2-(3-phenylphenyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone?
The IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)-[(5S)-2-(3-phenylphenyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone (CID 3233338) is (3,5-dimethyl-1,2-oxazol-4-yl)-[(5S)-2-(3-phenylphenyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone.
What is the SMILES notation for (3,5-dimethyl-1,2-oxazol-4-yl)-[(5S)-2-(3-phenylphenyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone?
The canonical SMILES for (3,5-dimethyl-1,2-oxazol-4-yl)-[(5S)-2-(3-phenylphenyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone is Cc1noc(C)c1C(=O)N1CCC[C@@]2(CCN(c3cccc(-c4ccccc4)c3)C2)C1.
What is the InChIKey of (3,5-dimethyl-1,2-oxazol-4-yl)-[(5S)-2-(3-phenylphenyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone?
The InChIKey is PINCGCHKSKHLCL-SANMLTNESA-N. The full InChI is InChI=1S/C26H29N3O2/c1-19-24(20(2)31-27-19)25(30)29-14-7-12-26(18-29)13-15-28(17-26)23-11-6-10-22(16-23)21-8-4-3-5-9-21/h3-6,8-11,16H,7,12-15,17-18H2,1-2H3/t26-/m0/s1.
What are the key properties of (3,5-dimethyl-1,2-oxazol-4-yl)-[(5S)-2-(3-phenylphenyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone?
(3,5-dimethyl-1,2-oxazol-4-yl)-[(5S)-2-(3-phenylphenyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone has a molecular weight of 415.54 g/mol, XLogP of 5.09, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethyl-1,2-oxazol-4-yl)-[(5S)-2-(3-phenylphenyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone is sourced from PubChem (CID 3233338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).