[(2S)-1-[(3-methyl-1,2-oxazol-5-yl)amino]-1-oxopropan-2-yl] imidazo[1,2-a]pyridine-6-carboxylate

C15H14N4O4 — CID 95315012

IUPAC[(2S)-1-[(3-methyl-1,2-oxazol-5-yl)amino]-1-oxopropan-2-yl] imidazo[1,2-a]pyridine-6-carboxylate
SMILESCc1cc(NC(=O)[C@H](C)OC(=O)c2ccc3nccn3c2)on1
InChIInChI=1S/C15H14N4O4/c1-9-7-13(23-18-9)17-14(20)10(2)22-15(21)11-3-4-12-16-5-6-19(12)8-11/h3-8,10H,1-2H3,(H,17,20)/t10-/m0/s1
InChIKeySTBVARAXDUEQDX-JTQLQIEISA-N
MW314.30 g/mol
LogP1.81
Rot. Bonds4

About [(2S)-1-[(3-methyl-1,2-oxazol-5-yl)amino]-1-oxopropan-2-yl] imidazo[1,2-a]pyridine-6-carboxylate

[(2S)-1-[(3-methyl-1,2-oxazol-5-yl)amino]-1-oxopropan-2-yl] imidazo[1,2-a]pyridine-6-carboxylate (PubChem CID 95315012) has the molecular formula C15H14N4O4 and a molecular weight of 314.30 g/mol. Its IUPAC name is [(2S)-1-[(3-methyl-1,2-oxazol-5-yl)amino]-1-oxopropan-2-yl] imidazo[1,2-a]pyridine-6-carboxylate.

Molecular Properties

Compound Name[(2S)-1-[(3-methyl-1,2-oxazol-5-yl)amino]-1-oxopropan-2-yl] imidazo[1,2-a]pyridine-6-carboxylate
PubChem CID95315012
Molecular FormulaC15H14N4O4
Molecular Weight314.30 g/mol
Exact Mass314.10
IUPAC Name[(2S)-1-[(3-methyl-1,2-oxazol-5-yl)amino]-1-oxopropan-2-yl] imidazo[1,2-a]pyridine-6-carboxylate
SMILESCc1cc(NC(=O)[C@H](C)OC(=O)c2ccc3nccn3c2)on1
InChIInChI=1S/C15H14N4O4/c1-9-7-13(23-18-9)17-14(20)10(2)22-15(21)11-3-4-12-16-5-6-19(12)8-11/h3-8,10H,1-2H3,(H,17,20)/t10-/m0/s1
InChIKeySTBVARAXDUEQDX-JTQLQIEISA-N
XLogP1.81
TPSA98.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.30
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[1-[(3-methyl-1,2-oxazol-5-yl)amino]-1-oxopropan-2-yl] 4-(1,3-thiazol-4-ylmethylsulfanyl)benzoate
CID 24652139
[1-[(3-methyl-1,2-oxazol-5-yl)amino]-1-oxopropan-2-yl] 2-phenylsulfanylpyridine-3-carboxylate
CID 55487884
[1-[(3-methyl-1,2-oxazol-5-yl)amino]-1-oxopropan-2-yl] 4-[cyclohexyl(methyl)sulfamoyl]benzoate
CID 42933588
[(2S)-1-[(3-methyl-1,2-oxazol-5-yl)amino]-1-oxopropan-2-yl] 3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoate
CID 99852184
1-(imidazo[1,2-a]pyridin-7-ylmethyl)-3-(3-methyl-1,2-oxazol-5-yl)urea
CID 167772547
[(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 4-acetamidobenzoate
CID 26012027
[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 4-acetamidobenzoate
CID 17483020
[1-[(3-methyl-1,2-oxazol-5-yl)amino]-1-oxopropan-2-yl] 1-(4-bromobenzoyl)piperidine-4-carboxylate
CID 24604179
[(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 4-(5-methylpyrazol-1-yl)benzoate
CID 9382298
[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 4-(5-methylpyrazol-1-yl)benzoate
CID 9382297
[(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 3-methoxy-4-methylbenzoate
CID 40674484
(2R)-2-chloro-N-(3-methyl-1,2-oxazol-5-yl)propanamide
CID 40953774

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-[(3-methyl-1,2-oxazol-5-yl)amino]-1-oxopropan-2-yl] imidazo[1,2-a]pyridine-6-carboxylate?
The IUPAC name of [(2S)-1-[(3-methyl-1,2-oxazol-5-yl)amino]-1-oxopropan-2-yl] imidazo[1,2-a]pyridine-6-carboxylate (CID 95315012) is [(2S)-1-[(3-methyl-1,2-oxazol-5-yl)amino]-1-oxopropan-2-yl] imidazo[1,2-a]pyridine-6-carboxylate.
What is the SMILES notation for [(2S)-1-[(3-methyl-1,2-oxazol-5-yl)amino]-1-oxopropan-2-yl] imidazo[1,2-a]pyridine-6-carboxylate?
The canonical SMILES for [(2S)-1-[(3-methyl-1,2-oxazol-5-yl)amino]-1-oxopropan-2-yl] imidazo[1,2-a]pyridine-6-carboxylate is Cc1cc(NC(=O)[C@H](C)OC(=O)c2ccc3nccn3c2)on1.
What is the InChIKey of [(2S)-1-[(3-methyl-1,2-oxazol-5-yl)amino]-1-oxopropan-2-yl] imidazo[1,2-a]pyridine-6-carboxylate?
The InChIKey is STBVARAXDUEQDX-JTQLQIEISA-N. The full InChI is InChI=1S/C15H14N4O4/c1-9-7-13(23-18-9)17-14(20)10(2)22-15(21)11-3-4-12-16-5-6-19(12)8-11/h3-8,10H,1-2H3,(H,17,20)/t10-/m0/s1.
What are the key properties of [(2S)-1-[(3-methyl-1,2-oxazol-5-yl)amino]-1-oxopropan-2-yl] imidazo[1,2-a]pyridine-6-carboxylate?
[(2S)-1-[(3-methyl-1,2-oxazol-5-yl)amino]-1-oxopropan-2-yl] imidazo[1,2-a]pyridine-6-carboxylate has a molecular weight of 314.30 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-[(3-methyl-1,2-oxazol-5-yl)amino]-1-oxopropan-2-yl] imidazo[1,2-a]pyridine-6-carboxylate is sourced from PubChem (CID 95315012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).