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

C21H24N4O5 — CID 166631021

IUPAC5-methyl-N-[(2S)-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-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]2CCNC2=O)no1
InChIInChI=1S/C21H24N4O5/c1-13-9-18(25-30-13)21(29)24-17(10-14-5-3-2-4-6-14)20(28)23-16(12-26)11-15-7-8-22-19(15)27/h2-6,9,12,15-17H,7-8,10-11H2,1H3,(H,22,27)(H,23,28)(H,24,29)/t15-,16-,17-/m0/s1
InChIKeyFPCYJFFJGUIKJT-ULQDDVLXSA-N
MW412.45 g/mol
LogP0.53
Rot. Bonds9

About 5-methyl-N-[(2S)-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-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-oxopyrrolidin-3-yl]propan-2-yl]amino]-3-phenylpropan-2-yl]-1,2-oxazole-3-carboxamide (PubChem CID 166631021) has the molecular formula C21H24N4O5 and a molecular weight of 412.45 g/mol. Its IUPAC name is 5-methyl-N-[(2S)-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-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-oxopyrrolidin-3-yl]propan-2-yl]amino]-3-phenylpropan-2-yl]-1,2-oxazole-3-carboxamide
PubChem CID166631021
Molecular FormulaC21H24N4O5
Molecular Weight412.45 g/mol
Exact Mass412.17
IUPAC Name5-methyl-N-[(2S)-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-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]2CCNC2=O)no1
InChIInChI=1S/C21H24N4O5/c1-13-9-18(25-30-13)21(29)24-17(10-14-5-3-2-4-6-14)20(28)23-16(12-26)11-15-7-8-22-19(15)27/h2-6,9,12,15-17H,7-8,10-11H2,1H3,(H,22,27)(H,23,28)(H,24,29)/t15-,16-,17-/m0/s1
InChIKeyFPCYJFFJGUIKJT-ULQDDVLXSA-N
XLogP0.53
TPSA130.40 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.45
LogP ≤ 50.53
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-oxopyrrolidin-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-oxopyrrolidin-3-yl]propan-2-yl]amino]-3-phenylpropan-2-yl]-1,2-oxazole-3-carboxamide (CID 166631021) is 5-methyl-N-[(2S)-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-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-oxopyrrolidin-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-oxopyrrolidin-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]2CCNC2=O)no1.
What is the InChIKey of 5-methyl-N-[(2S)-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]-3-phenylpropan-2-yl]-1,2-oxazole-3-carboxamide?
The InChIKey is FPCYJFFJGUIKJT-ULQDDVLXSA-N. The full InChI is InChI=1S/C21H24N4O5/c1-13-9-18(25-30-13)21(29)24-17(10-14-5-3-2-4-6-14)20(28)23-16(12-26)11-15-7-8-22-19(15)27/h2-6,9,12,15-17H,7-8,10-11H2,1H3,(H,22,27)(H,23,28)(H,24,29)/t15-,16-,17-/m0/s1.
What are the key properties of 5-methyl-N-[(2S)-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-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-oxopyrrolidin-3-yl]propan-2-yl]amino]-3-phenylpropan-2-yl]-1,2-oxazole-3-carboxamide has a molecular weight of 412.45 g/mol, XLogP of 0.53, 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-oxopyrrolidin-3-yl]propan-2-yl]amino]-3-phenylpropan-2-yl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 166631021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).