[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 2-[(2-methoxybenzoyl)amino]acetate

C18H21N3O6 — CID 27352608

IUPAC[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 2-[(2-methoxybenzoyl)amino]acetate
SMILESCC[C@H](OC(=O)CNC(=O)c1ccccc1OC)C(=O)Nc1cc(C)on1
InChIInChI=1S/C18H21N3O6/c1-4-13(18(24)20-15-9-11(2)27-21-15)26-16(22)10-19-17(23)12-7-5-6-8-14(12)25-3/h5-9,13H,4,10H2,1-3H3,(H,19,23)(H,20,21,24)/t13-/m0/s1
InChIKeyHUYIDONHKHRDOK-ZDUSSCGKSA-N
MW375.38 g/mol
LogP1.68
Rot. Bonds8

About [(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 2-[(2-methoxybenzoyl)amino]acetate

[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 2-[(2-methoxybenzoyl)amino]acetate (PubChem CID 27352608) has the molecular formula C18H21N3O6 and a molecular weight of 375.38 g/mol. Its IUPAC name is [(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 2-[(2-methoxybenzoyl)amino]acetate.

Molecular Properties

Compound Name[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 2-[(2-methoxybenzoyl)amino]acetate
PubChem CID27352608
Molecular FormulaC18H21N3O6
Molecular Weight375.38 g/mol
Exact Mass375.14
IUPAC Name[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 2-[(2-methoxybenzoyl)amino]acetate
SMILESCC[C@H](OC(=O)CNC(=O)c1ccccc1OC)C(=O)Nc1cc(C)on1
InChIInChI=1S/C18H21N3O6/c1-4-13(18(24)20-15-9-11(2)27-21-15)26-16(22)10-19-17(23)12-7-5-6-8-14(12)25-3/h5-9,13H,4,10H2,1-3H3,(H,19,23)(H,20,21,24)/t13-/m0/s1
InChIKeyHUYIDONHKHRDOK-ZDUSSCGKSA-N
XLogP1.68
TPSA119.76 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.38
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 2-[(2-methoxybenzoyl)amino]acetate with MolForge

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Related Compounds

[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 2-(difluoromethoxy)benzoate
CID 18100896
2-[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl]oxybenzamide
CID 17430036
[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 2-(4-methoxyphenyl)acetate
CID 118265067
[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] (2S)-2-[(2-ethoxybenzoyl)amino]-3-methylbutanoate
CID 16572275
[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 2-(methylamino)benzoate
CID 16572251
4-methoxy-2-[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl]oxybenzamide
CID 18103303
2-(2-bromophenoxy)-N-(5-methyl-1,2-oxazol-3-yl)butanamide
CID 17425921
[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxohexan-2-yl] 2-[(4-butoxybenzoyl)amino]acetate
CID 55561853
2-(2-methoxyanilino)-N-(5-methyl-1,2-oxazol-3-yl)butanamide
CID 17499493
[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 2,5-dimethylbenzoate
CID 41037166
[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] (E)-3-phenylprop-2-enoate
CID 46683493
[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 2-[methyl(pyrimidin-2-yl)amino]acetate
CID 43063523

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 2-[(2-methoxybenzoyl)amino]acetate?
The IUPAC name of [(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 2-[(2-methoxybenzoyl)amino]acetate (CID 27352608) is [(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 2-[(2-methoxybenzoyl)amino]acetate.
What is the SMILES notation for [(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 2-[(2-methoxybenzoyl)amino]acetate?
The canonical SMILES for [(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 2-[(2-methoxybenzoyl)amino]acetate is CC[C@H](OC(=O)CNC(=O)c1ccccc1OC)C(=O)Nc1cc(C)on1.
What is the InChIKey of [(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 2-[(2-methoxybenzoyl)amino]acetate?
The InChIKey is HUYIDONHKHRDOK-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H21N3O6/c1-4-13(18(24)20-15-9-11(2)27-21-15)26-16(22)10-19-17(23)12-7-5-6-8-14(12)25-3/h5-9,13H,4,10H2,1-3H3,(H,19,23)(H,20,21,24)/t13-/m0/s1.
What are the key properties of [(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 2-[(2-methoxybenzoyl)amino]acetate?
[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 2-[(2-methoxybenzoyl)amino]acetate has a molecular weight of 375.38 g/mol, XLogP of 1.68, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 2-[(2-methoxybenzoyl)amino]acetate is sourced from PubChem (CID 27352608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).