[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopentan-2-yl] 4-(dimethylamino)benzoate

C18H23N3O4 — CID 41016234

IUPAC[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopentan-2-yl] 4-(dimethylamino)benzoate
SMILESCCC[C@H](OC(=O)c1ccc(N(C)C)cc1)C(=O)Nc1cc(C)on1
InChIInChI=1S/C18H23N3O4/c1-5-6-15(17(22)19-16-11-12(2)25-20-16)24-18(23)13-7-9-14(10-8-13)21(3)4/h7-11,15H,5-6H2,1-4H3,(H,19,20,22)/t15-/m0/s1
InChIKeyNVHOMTKLPIZIBD-HNNXBMFYSA-N
MW345.40 g/mol
LogP3.01
Rot. Bonds7

About [(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopentan-2-yl] 4-(dimethylamino)benzoate

[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopentan-2-yl] 4-(dimethylamino)benzoate (PubChem CID 41016234) has the molecular formula C18H23N3O4 and a molecular weight of 345.40 g/mol. Its IUPAC name is [(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopentan-2-yl] 4-(dimethylamino)benzoate.

Molecular Properties

Compound Name[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopentan-2-yl] 4-(dimethylamino)benzoate
PubChem CID41016234
Molecular FormulaC18H23N3O4
Molecular Weight345.40 g/mol
Exact Mass345.17
IUPAC Name[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopentan-2-yl] 4-(dimethylamino)benzoate
SMILESCCC[C@H](OC(=O)c1ccc(N(C)C)cc1)C(=O)Nc1cc(C)on1
InChIInChI=1S/C18H23N3O4/c1-5-6-15(17(22)19-16-11-12(2)25-20-16)24-18(23)13-7-9-14(10-8-13)21(3)4/h7-11,15H,5-6H2,1-4H3,(H,19,20,22)/t15-/m0/s1
InChIKeyNVHOMTKLPIZIBD-HNNXBMFYSA-N
XLogP3.01
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopentan-2-yl] 4-(dimethylamino)benzoate with MolForge

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Related Compounds

tert-butyl N-[4-[3-[[8-(hydroxyamino)-8-oxooctanoyl]amino]-1,2-oxazol-5-yl]phenyl]carbamate
CID 164627446
Methyl 2-(3-(5-(tert-butyl)isoxazol-3-yl)ureido)benzoate
CID 971573
[2-[(5-Methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-(2-hydroxyethylamino)benzoate
CID 2118247
[2-[(5-Methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 4-(diethylamino)benzoate
CID 2514844
Ethyl 4-{[(3-isoxazolylamino)carbonyl]amino}benzoate
CID 6468758
Ethyl 4-({[(5-methyl-3-isoxazolyl)amino]carbonyl}amino)benzoate
CID 972242
1-((5-Methylisoxazol-3(2H)-ylidene)amino)-1-oxobutan-2-yl 2-benzamido-2-phenylacetate
CID 2916405
[2-[(5-Methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 4-[(3,4-dimethylphenyl)sulfonylamino]benzoate
CID 2122131
1-O-methyl 3-O-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 5-nitrobenzene-1,3-dicarboxylate
CID 2551017
[2-[(5-Methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-[methyl(phenyl)sulfamoyl]benzoate
CID 2551337
N-(5-methyl-3-isoxazolyl)-4-[(2-phenoxypropanoyl)amino]benzamide
CID 2961706
N-(4-Acetyl-phenyl)-N'-(5-methyl-isoxazol-3-yl)-N-{[(tetrahydro-furan-2-ylmethyl)-carbamoyl]-methyl}-succinamide
CID 3210831

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopentan-2-yl] 4-(dimethylamino)benzoate?
The IUPAC name of [(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopentan-2-yl] 4-(dimethylamino)benzoate (CID 41016234) is [(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopentan-2-yl] 4-(dimethylamino)benzoate.
What is the SMILES notation for [(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopentan-2-yl] 4-(dimethylamino)benzoate?
The canonical SMILES for [(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopentan-2-yl] 4-(dimethylamino)benzoate is CCC[C@H](OC(=O)c1ccc(N(C)C)cc1)C(=O)Nc1cc(C)on1.
What is the InChIKey of [(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopentan-2-yl] 4-(dimethylamino)benzoate?
The InChIKey is NVHOMTKLPIZIBD-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H23N3O4/c1-5-6-15(17(22)19-16-11-12(2)25-20-16)24-18(23)13-7-9-14(10-8-13)21(3)4/h7-11,15H,5-6H2,1-4H3,(H,19,20,22)/t15-/m0/s1.
What are the key properties of [(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopentan-2-yl] 4-(dimethylamino)benzoate?
[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopentan-2-yl] 4-(dimethylamino)benzoate has a molecular weight of 345.40 g/mol, XLogP of 3.01, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopentan-2-yl] 4-(dimethylamino)benzoate is sourced from PubChem (CID 41016234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).