N-[(2S)-1-[[(2S)-1-(1,3-benzoxazol-2-yl)-1-oxobutan-2-yl]amino]-1-oxo-3-trimethylsilylpropan-2-yl]morpholine-4-carboxamide

C22H32N4O5Si — CID 11190399

IUPACN-[(2S)-1-[[(2S)-1-(1,3-benzoxazol-2-yl)-1-oxobutan-2-yl]amino]-1-oxo-3-trimethylsilylpropan-2-yl]morpholine-4-carboxamide
SMILESCC[C@H](NC(=O)[C@@H](C[Si](C)(C)C)NC(=O)N1CCOCC1)C(=O)c1nc2ccccc2o1
InChIInChI=1S/C22H32N4O5Si/c1-5-15(19(27)21-24-16-8-6-7-9-18(16)31-21)23-20(28)17(14-32(2,3)4)25-22(29)26-10-12-30-13-11-26/h6-9,15,17H,5,10-14H2,1-4H3,(H,23,28)(H,25,29)/t15-,17+/m0/s1
InChIKeyKKZPAEKHPPGGMQ-DOTOQJQBSA-N
MW460.61 g/mol
LogP2.65
Rot. Bonds8

About N-[(2S)-1-[[(2S)-1-(1,3-benzoxazol-2-yl)-1-oxobutan-2-yl]amino]-1-oxo-3-trimethylsilylpropan-2-yl]morpholine-4-carboxamide

N-[(2S)-1-[[(2S)-1-(1,3-benzoxazol-2-yl)-1-oxobutan-2-yl]amino]-1-oxo-3-trimethylsilylpropan-2-yl]morpholine-4-carboxamide (PubChem CID 11190399) has the molecular formula C22H32N4O5Si and a molecular weight of 460.61 g/mol. Its IUPAC name is N-[(2S)-1-[[(2S)-1-(1,3-benzoxazol-2-yl)-1-oxobutan-2-yl]amino]-1-oxo-3-trimethylsilylpropan-2-yl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-[[(2S)-1-(1,3-benzoxazol-2-yl)-1-oxobutan-2-yl]amino]-1-oxo-3-trimethylsilylpropan-2-yl]morpholine-4-carboxamide
PubChem CID11190399
Molecular FormulaC22H32N4O5Si
Molecular Weight460.61 g/mol
Exact Mass460.21
IUPAC NameN-[(2S)-1-[[(2S)-1-(1,3-benzoxazol-2-yl)-1-oxobutan-2-yl]amino]-1-oxo-3-trimethylsilylpropan-2-yl]morpholine-4-carboxamide
SMILESCC[C@H](NC(=O)[C@@H](C[Si](C)(C)C)NC(=O)N1CCOCC1)C(=O)c1nc2ccccc2o1
InChIInChI=1S/C22H32N4O5Si/c1-5-15(19(27)21-24-16-8-6-7-9-18(16)31-21)23-20(28)17(14-32(2,3)4)25-22(29)26-10-12-30-13-11-26/h6-9,15,17H,5,10-14H2,1-4H3,(H,23,28)(H,25,29)/t15-,17+/m0/s1
InChIKeyKKZPAEKHPPGGMQ-DOTOQJQBSA-N
XLogP2.65
TPSA113.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.61
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[(2S)-1-[[(2S)-1-(1,3-benzoxazol-2-yl)-1-oxobutan-2-yl]amino]-1-oxo-3-trimethylsilylpropan-2-yl]morpholine-4-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 N-[(2S)-1-[[(2S)-1-(1,3-benzoxazol-2-yl)-1-oxobutan-2-yl]amino]-1-oxo-3-trimethylsilylpropan-2-yl]morpholine-4-carboxamide?
The IUPAC name of N-[(2S)-1-[[(2S)-1-(1,3-benzoxazol-2-yl)-1-oxobutan-2-yl]amino]-1-oxo-3-trimethylsilylpropan-2-yl]morpholine-4-carboxamide (CID 11190399) is N-[(2S)-1-[[(2S)-1-(1,3-benzoxazol-2-yl)-1-oxobutan-2-yl]amino]-1-oxo-3-trimethylsilylpropan-2-yl]morpholine-4-carboxamide.
What is the SMILES notation for N-[(2S)-1-[[(2S)-1-(1,3-benzoxazol-2-yl)-1-oxobutan-2-yl]amino]-1-oxo-3-trimethylsilylpropan-2-yl]morpholine-4-carboxamide?
The canonical SMILES for N-[(2S)-1-[[(2S)-1-(1,3-benzoxazol-2-yl)-1-oxobutan-2-yl]amino]-1-oxo-3-trimethylsilylpropan-2-yl]morpholine-4-carboxamide is CC[C@H](NC(=O)[C@@H](C[Si](C)(C)C)NC(=O)N1CCOCC1)C(=O)c1nc2ccccc2o1.
What is the InChIKey of N-[(2S)-1-[[(2S)-1-(1,3-benzoxazol-2-yl)-1-oxobutan-2-yl]amino]-1-oxo-3-trimethylsilylpropan-2-yl]morpholine-4-carboxamide?
The InChIKey is KKZPAEKHPPGGMQ-DOTOQJQBSA-N. The full InChI is InChI=1S/C22H32N4O5Si/c1-5-15(19(27)21-24-16-8-6-7-9-18(16)31-21)23-20(28)17(14-32(2,3)4)25-22(29)26-10-12-30-13-11-26/h6-9,15,17H,5,10-14H2,1-4H3,(H,23,28)(H,25,29)/t15-,17+/m0/s1.
What are the key properties of N-[(2S)-1-[[(2S)-1-(1,3-benzoxazol-2-yl)-1-oxobutan-2-yl]amino]-1-oxo-3-trimethylsilylpropan-2-yl]morpholine-4-carboxamide?
N-[(2S)-1-[[(2S)-1-(1,3-benzoxazol-2-yl)-1-oxobutan-2-yl]amino]-1-oxo-3-trimethylsilylpropan-2-yl]morpholine-4-carboxamide has a molecular weight of 460.61 g/mol, XLogP of 2.65, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[[(2S)-1-(1,3-benzoxazol-2-yl)-1-oxobutan-2-yl]amino]-1-oxo-3-trimethylsilylpropan-2-yl]morpholine-4-carboxamide is sourced from PubChem (CID 11190399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).