[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 3-(thiophene-2-carbonylamino)benzoate

C20H19N3O5S — CID 46645593

IUPAC[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 3-(thiophene-2-carbonylamino)benzoate
SMILESCCC(OC(=O)c1cccc(NC(=O)c2cccs2)c1)C(=O)Nc1cc(C)on1
InChIInChI=1S/C20H19N3O5S/c1-3-15(18(24)22-17-10-12(2)28-23-17)27-20(26)13-6-4-7-14(11-13)21-19(25)16-8-5-9-29-16/h4-11,15H,3H2,1-2H3,(H,21,25)(H,22,23,24)
InChIKeyLGUWRLSFWWBCFK-UHFFFAOYSA-N
MW413.46 g/mol
LogP3.87
Rot. Bonds7

About [1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 3-(thiophene-2-carbonylamino)benzoate

[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 3-(thiophene-2-carbonylamino)benzoate (PubChem CID 46645593) has the molecular formula C20H19N3O5S and a molecular weight of 413.46 g/mol. Its IUPAC name is [1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 3-(thiophene-2-carbonylamino)benzoate.

Molecular Properties

Compound Name[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 3-(thiophene-2-carbonylamino)benzoate
PubChem CID46645593
Molecular FormulaC20H19N3O5S
Molecular Weight413.46 g/mol
Exact Mass413.10
IUPAC Name[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 3-(thiophene-2-carbonylamino)benzoate
SMILESCCC(OC(=O)c1cccc(NC(=O)c2cccs2)c1)C(=O)Nc1cc(C)on1
InChIInChI=1S/C20H19N3O5S/c1-3-15(18(24)22-17-10-12(2)28-23-17)27-20(26)13-6-4-7-14(11-13)21-19(25)16-8-5-9-29-16/h4-11,15H,3H2,1-2H3,(H,21,25)(H,22,23,24)
InChIKeyLGUWRLSFWWBCFK-UHFFFAOYSA-N
XLogP3.87
TPSA110.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.46
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 3-(thiophene-2-carbonylamino)benzoate with MolForge

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Related Compounds

[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 3-iodobenzoate
CID 46644211
N-[3-[methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 51267589
N-[3-[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]sulfanylphenyl]thiophene-2-carboxamide
CID 19298748
[(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 4-hydroxybenzoate
CID 41037165
[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 3H-benzimidazole-5-carboxylate
CID 23745074
[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 2,3-dihydro-1H-indene-5-carboxylate
CID 46644356
[(2S)-1-amino-1-oxopropan-2-yl] 3-(thiophene-2-carbonylamino)benzoate
CID 8597716
[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] 5-bromopyridine-3-carboxylate
CID 17397365
2-(4-ethoxyphenoxy)ethyl 3-(thiophene-2-carbonylamino)benzoate
CID 7492050
[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 4-(phenoxymethyl)benzoate
CID 24527017
N-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]thiophene-2-carboxamide
CID 110866692

Frequently Asked Questions

What is the IUPAC name of [1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 3-(thiophene-2-carbonylamino)benzoate?
The IUPAC name of [1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 3-(thiophene-2-carbonylamino)benzoate (CID 46645593) is [1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 3-(thiophene-2-carbonylamino)benzoate.
What is the SMILES notation for [1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 3-(thiophene-2-carbonylamino)benzoate?
The canonical SMILES for [1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 3-(thiophene-2-carbonylamino)benzoate is CCC(OC(=O)c1cccc(NC(=O)c2cccs2)c1)C(=O)Nc1cc(C)on1.
What is the InChIKey of [1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 3-(thiophene-2-carbonylamino)benzoate?
The InChIKey is LGUWRLSFWWBCFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O5S/c1-3-15(18(24)22-17-10-12(2)28-23-17)27-20(26)13-6-4-7-14(11-13)21-19(25)16-8-5-9-29-16/h4-11,15H,3H2,1-2H3,(H,21,25)(H,22,23,24).
What are the key properties of [1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 3-(thiophene-2-carbonylamino)benzoate?
[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 3-(thiophene-2-carbonylamino)benzoate has a molecular weight of 413.46 g/mol, XLogP of 3.87, 7 rotatable bonds, 2 hydrogen bond donors, and 7 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] 3-(thiophene-2-carbonylamino)benzoate is sourced from PubChem (CID 46645593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).