5-methyl-N-[(2S)-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-phenylpropan-2-yl]-1,2-oxazole-3-carboxamide

C22H26N4O5 — CID 134131215

IUPAC5-methyl-N-[(2S)-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-phenylpropan-2-yl]-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](C=O)C[C@@H]2CCCNC2=O)no1
InChIInChI=1S/C22H26N4O5/c1-14-10-19(26-31-14)22(30)25-18(11-15-6-3-2-4-7-15)21(29)24-17(13-27)12-16-8-5-9-23-20(16)28/h2-4,6-7,10,13,16-18H,5,8-9,11-12H2,1H3,(H,23,28)(H,24,29)(H,25,30)/t16-,17-,18-/m0/s1
InChIKeyAFRWZTWTRBYJOC-BZSNNMDCSA-N
MW426.47 g/mol
LogP0.92
Rot. Bonds9

About 5-methyl-N-[(2S)-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-phenylpropan-2-yl]-1,2-oxazole-3-carboxamide

5-methyl-N-[(2S)-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-phenylpropan-2-yl]-1,2-oxazole-3-carboxamide (PubChem CID 134131215) has the molecular formula C22H26N4O5 and a molecular weight of 426.47 g/mol. Its IUPAC name is 5-methyl-N-[(2S)-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-phenylpropan-2-yl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[(2S)-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-phenylpropan-2-yl]-1,2-oxazole-3-carboxamide
PubChem CID134131215
Molecular FormulaC22H26N4O5
Molecular Weight426.47 g/mol
Exact Mass426.19
IUPAC Name5-methyl-N-[(2S)-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-phenylpropan-2-yl]-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](C=O)C[C@@H]2CCCNC2=O)no1
InChIInChI=1S/C22H26N4O5/c1-14-10-19(26-31-14)22(30)25-18(11-15-6-3-2-4-7-15)21(29)24-17(13-27)12-16-8-5-9-23-20(16)28/h2-4,6-7,10,13,16-18H,5,8-9,11-12H2,1H3,(H,23,28)(H,24,29)(H,25,30)/t16-,17-,18-/m0/s1
InChIKeyAFRWZTWTRBYJOC-BZSNNMDCSA-N
XLogP0.92
TPSA130.40 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.47
LogP ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[(2S)-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-phenylpropan-2-yl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-methyl-N-[(2S)-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-phenylpropan-2-yl]-1,2-oxazole-3-carboxamide (CID 134131215) is 5-methyl-N-[(2S)-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-phenylpropan-2-yl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-methyl-N-[(2S)-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-phenylpropan-2-yl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-methyl-N-[(2S)-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-phenylpropan-2-yl]-1,2-oxazole-3-carboxamide is Cc1cc(C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](C=O)C[C@@H]2CCCNC2=O)no1.
What is the InChIKey of 5-methyl-N-[(2S)-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-phenylpropan-2-yl]-1,2-oxazole-3-carboxamide?
The InChIKey is AFRWZTWTRBYJOC-BZSNNMDCSA-N. The full InChI is InChI=1S/C22H26N4O5/c1-14-10-19(26-31-14)22(30)25-18(11-15-6-3-2-4-7-15)21(29)24-17(13-27)12-16-8-5-9-23-20(16)28/h2-4,6-7,10,13,16-18H,5,8-9,11-12H2,1H3,(H,23,28)(H,24,29)(H,25,30)/t16-,17-,18-/m0/s1.
What are the key properties of 5-methyl-N-[(2S)-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-phenylpropan-2-yl]-1,2-oxazole-3-carboxamide?
5-methyl-N-[(2S)-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-phenylpropan-2-yl]-1,2-oxazole-3-carboxamide has a molecular weight of 426.47 g/mol, XLogP of 0.92, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[(2S)-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]-3-phenylpropan-2-yl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 134131215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).