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

C16H19N3O3 — CID 97478219

IUPAC5-methyl-N-[(2S)-1-oxo-1-[[(1S)-1-phenylethyl]amino]propan-2-yl]-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)N[C@@H](C)C(=O)N[C@@H](C)c2ccccc2)no1
InChIInChI=1S/C16H19N3O3/c1-10-9-14(19-22-10)16(21)18-12(3)15(20)17-11(2)13-7-5-4-6-8-13/h4-9,11-12H,1-3H3,(H,17,20)(H,18,21)/t11-,12-/m0/s1
InChIKeyVBUVTYQFFXXCDS-RYUDHWBXSA-N
MW301.35 g/mol
LogP1.98
Rot. Bonds5

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

5-methyl-N-[(2S)-1-oxo-1-[[(1S)-1-phenylethyl]amino]propan-2-yl]-1,2-oxazole-3-carboxamide (PubChem CID 97478219) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is 5-methyl-N-[(2S)-1-oxo-1-[[(1S)-1-phenylethyl]amino]propan-2-yl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[(2S)-1-oxo-1-[[(1S)-1-phenylethyl]amino]propan-2-yl]-1,2-oxazole-3-carboxamide
PubChem CID97478219
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name5-methyl-N-[(2S)-1-oxo-1-[[(1S)-1-phenylethyl]amino]propan-2-yl]-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)N[C@@H](C)C(=O)N[C@@H](C)c2ccccc2)no1
InChIInChI=1S/C16H19N3O3/c1-10-9-14(19-22-10)16(21)18-12(3)15(20)17-11(2)13-7-5-4-6-8-13/h4-9,11-12H,1-3H3,(H,17,20)(H,18,21)/t11-,12-/m0/s1
InChIKeyVBUVTYQFFXXCDS-RYUDHWBXSA-N
XLogP1.98
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-methyl-N-[(2S)-1-oxo-1-[[(1S)-1-phenylethyl]amino]propan-2-yl]-1,2-oxazole-3-carboxamide with MolForge

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Related Compounds

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CID 66157356
methyl (2S)-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]-2-phenylacetate
CID 44542358
N-(2-bromo-1-phenylethyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 114311175
N-[(2S)-1-amino-1-oxopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 130166246
N-(2-amino-1-phenyl-2-sulfanylideneethyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 66157151
N-[(1R)-1,2-diphenylethyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 31348831
N-[(1R)-3-(dimethylamino)-3-oxo-1-phenylpropyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 94675875
3-methyl-N-[1-oxo-1-(1-phenylethylamino)propan-2-yl]benzamide
CID 46757042
5-methyl-N-(1-phenylpropan-2-yl)-1,2-oxazole-3-carboxamide
CID 176958817
5-methyl-N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]-1,2-oxazole-3-carboxamide
CID 71972332
5-methyl-N-[(1R)-1-(5-methylfuran-2-yl)ethyl]-1,2-oxazole-3-carboxamide
CID 94177083
ethyl 2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]propanoate
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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[(2S)-1-oxo-1-[[(1S)-1-phenylethyl]amino]propan-2-yl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-methyl-N-[(2S)-1-oxo-1-[[(1S)-1-phenylethyl]amino]propan-2-yl]-1,2-oxazole-3-carboxamide (CID 97478219) is 5-methyl-N-[(2S)-1-oxo-1-[[(1S)-1-phenylethyl]amino]propan-2-yl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-methyl-N-[(2S)-1-oxo-1-[[(1S)-1-phenylethyl]amino]propan-2-yl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-methyl-N-[(2S)-1-oxo-1-[[(1S)-1-phenylethyl]amino]propan-2-yl]-1,2-oxazole-3-carboxamide is Cc1cc(C(=O)N[C@@H](C)C(=O)N[C@@H](C)c2ccccc2)no1.
What is the InChIKey of 5-methyl-N-[(2S)-1-oxo-1-[[(1S)-1-phenylethyl]amino]propan-2-yl]-1,2-oxazole-3-carboxamide?
The InChIKey is VBUVTYQFFXXCDS-RYUDHWBXSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-10-9-14(19-22-10)16(21)18-12(3)15(20)17-11(2)13-7-5-4-6-8-13/h4-9,11-12H,1-3H3,(H,17,20)(H,18,21)/t11-,12-/m0/s1.
What are the key properties of 5-methyl-N-[(2S)-1-oxo-1-[[(1S)-1-phenylethyl]amino]propan-2-yl]-1,2-oxazole-3-carboxamide?
5-methyl-N-[(2S)-1-oxo-1-[[(1S)-1-phenylethyl]amino]propan-2-yl]-1,2-oxazole-3-carboxamide has a molecular weight of 301.35 g/mol, XLogP of 1.98, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[(2S)-1-oxo-1-[[(1S)-1-phenylethyl]amino]propan-2-yl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 97478219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).