bis[(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] pyridine-2,6-dicarboxylate

C21H21N5O8 — CID 27380722

IUPACbis[(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] pyridine-2,6-dicarboxylate
SMILESCc1cc(NC(=O)[C@@H](C)OC(=O)c2cccc(C(=O)O[C@H](C)C(=O)Nc3cc(C)on3)n2)no1
InChIInChI=1S/C21H21N5O8/c1-10-8-16(25-33-10)23-18(27)12(3)31-20(29)14-6-5-7-15(22-14)21(30)32-13(4)19(28)24-17-9-11(2)34-26-17/h5-9,12-13H,1-4H3,(H,23,25,27)(H,24,26,28)/t12-,13-/m1/s1
InChIKeyXWHUTWFBGULVIO-CHWSQXEVSA-N
MW471.43 g/mol
LogP2.04
Rot. Bonds8

About bis[(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] pyridine-2,6-dicarboxylate

bis[(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] pyridine-2,6-dicarboxylate (PubChem CID 27380722) has the molecular formula C21H21N5O8 and a molecular weight of 471.43 g/mol. Its IUPAC name is bis[(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] pyridine-2,6-dicarboxylate.

Molecular Properties

Compound Namebis[(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] pyridine-2,6-dicarboxylate
PubChem CID27380722
Molecular FormulaC21H21N5O8
Molecular Weight471.43 g/mol
Exact Mass471.14
IUPAC Namebis[(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] pyridine-2,6-dicarboxylate
SMILESCc1cc(NC(=O)[C@@H](C)OC(=O)c2cccc(C(=O)O[C@H](C)C(=O)Nc3cc(C)on3)n2)no1
InChIInChI=1S/C21H21N5O8/c1-10-8-16(25-33-10)23-18(27)12(3)31-20(29)14-6-5-7-15(22-14)21(30)32-13(4)19(28)24-17-9-11(2)34-26-17/h5-9,12-13H,1-4H3,(H,23,25,27)(H,24,26,28)/t12-,13-/m1/s1
InChIKeyXWHUTWFBGULVIO-CHWSQXEVSA-N
XLogP2.04
TPSA175.75 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.43
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze bis[(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] pyridine-2,6-dicarboxylate with MolForge

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Launch Full Analysis

Related Compounds

[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 2,3-dimethylbenzoate
CID 41323395
[(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 3,5-dimethylbenzoate
CID 41013626
[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 3-(dimethylamino)benzoate
CID 46619922
[(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
[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 3-(trifluoromethyl)benzoate
CID 41323383
[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 2,3-dimethylquinoxaline-6-carboxylate
CID 8959161
[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 3-nitrobenzoate
CID 17483961
[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 3-(methylsulfamoyl)benzoate
CID 26012031
[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 4-bromo-1H-pyrrole-2-carboxylate
CID 18122625
[(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 3-methoxy-4-methylbenzoate
CID 40674484
[(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 4-acetyl-1H-pyrrole-2-carboxylate
CID 9386445

Frequently Asked Questions

What is the IUPAC name of bis[(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] pyridine-2,6-dicarboxylate?
The IUPAC name of bis[(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] pyridine-2,6-dicarboxylate (CID 27380722) is bis[(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] pyridine-2,6-dicarboxylate.
What is the SMILES notation for bis[(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] pyridine-2,6-dicarboxylate?
The canonical SMILES for bis[(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] pyridine-2,6-dicarboxylate is Cc1cc(NC(=O)[C@@H](C)OC(=O)c2cccc(C(=O)O[C@H](C)C(=O)Nc3cc(C)on3)n2)no1.
What is the InChIKey of bis[(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] pyridine-2,6-dicarboxylate?
The InChIKey is XWHUTWFBGULVIO-CHWSQXEVSA-N. The full InChI is InChI=1S/C21H21N5O8/c1-10-8-16(25-33-10)23-18(27)12(3)31-20(29)14-6-5-7-15(22-14)21(30)32-13(4)19(28)24-17-9-11(2)34-26-17/h5-9,12-13H,1-4H3,(H,23,25,27)(H,24,26,28)/t12-,13-/m1/s1.
What are the key properties of bis[(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] pyridine-2,6-dicarboxylate?
bis[(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] pyridine-2,6-dicarboxylate has a molecular weight of 471.43 g/mol, XLogP of 2.04, 8 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for bis[(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] pyridine-2,6-dicarboxylate is sourced from PubChem (CID 27380722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).