[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 2-acetamido-1,3-thiazole-4-carboxylate

C14H16N4O5S — CID 46605681

IUPAC[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 2-acetamido-1,3-thiazole-4-carboxylate
SMILESCCC(OC(=O)c1csc(NC(C)=O)n1)C(=O)Nc1cc(C)on1
InChIInChI=1S/C14H16N4O5S/c1-4-10(12(20)17-11-5-7(2)23-18-11)22-13(21)9-6-24-14(16-9)15-8(3)19/h5-6,10H,4H2,1-3H3,(H,15,16,19)(H,17,18,20)
InChIKeyNFRSTONFOMFPLU-UHFFFAOYSA-N
MW352.37 g/mol
LogP1.97
Rot. Bonds6

About [1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 2-acetamido-1,3-thiazole-4-carboxylate

[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 2-acetamido-1,3-thiazole-4-carboxylate (PubChem CID 46605681) has the molecular formula C14H16N4O5S and a molecular weight of 352.37 g/mol. Its IUPAC name is [1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 2-acetamido-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Name[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 2-acetamido-1,3-thiazole-4-carboxylate
PubChem CID46605681
Molecular FormulaC14H16N4O5S
Molecular Weight352.37 g/mol
Exact Mass352.08
IUPAC Name[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 2-acetamido-1,3-thiazole-4-carboxylate
SMILESCCC(OC(=O)c1csc(NC(C)=O)n1)C(=O)Nc1cc(C)on1
InChIInChI=1S/C14H16N4O5S/c1-4-10(12(20)17-11-5-7(2)23-18-11)22-13(21)9-6-24-14(16-9)15-8(3)19/h5-6,10H,4H2,1-3H3,(H,15,16,19)(H,17,18,20)
InChIKeyNFRSTONFOMFPLU-UHFFFAOYSA-N
XLogP1.97
TPSA123.42 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.37
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze [1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 2-acetamido-1,3-thiazole-4-carboxylate with MolForge

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Related Compounds

[(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 4-hydroxybenzoate
CID 41037165
[(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] 5-bromopyridine-3-carboxylate
CID 17397365
[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 3-iodobenzoate
CID 46644211
[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 2-(methylamino)benzoate
CID 16572251
[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 3-thiophen-3-ylpropanoate
CID 46645264
[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 3-pyrrol-1-ylthiophene-2-carboxylate
CID 18170123
[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] 2,3-dihydro-1H-indene-5-carboxylate
CID 46644356
[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 2,5-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate
CID 18100915
[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetate
CID 55449941
[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxylate
CID 55448303

Frequently Asked Questions

What is the IUPAC name of [1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 2-acetamido-1,3-thiazole-4-carboxylate?
The IUPAC name of [1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 2-acetamido-1,3-thiazole-4-carboxylate (CID 46605681) is [1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 2-acetamido-1,3-thiazole-4-carboxylate.
What is the SMILES notation for [1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 2-acetamido-1,3-thiazole-4-carboxylate?
The canonical SMILES for [1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 2-acetamido-1,3-thiazole-4-carboxylate is CCC(OC(=O)c1csc(NC(C)=O)n1)C(=O)Nc1cc(C)on1.
What is the InChIKey of [1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 2-acetamido-1,3-thiazole-4-carboxylate?
The InChIKey is NFRSTONFOMFPLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O5S/c1-4-10(12(20)17-11-5-7(2)23-18-11)22-13(21)9-6-24-14(16-9)15-8(3)19/h5-6,10H,4H2,1-3H3,(H,15,16,19)(H,17,18,20).
What are the key properties of [1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 2-acetamido-1,3-thiazole-4-carboxylate?
[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 2-acetamido-1,3-thiazole-4-carboxylate has a molecular weight of 352.37 g/mol, XLogP of 1.97, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 2-acetamido-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 46605681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).