[(2R)-1-[(3-methyl-1,2-oxazol-5-yl)amino]-1-oxopropan-2-yl] 1-(1,3-benzoxazol-2-yl)piperidine-4-carboxylate

C20H22N4O5 — CID 26037244

IUPAC[(2R)-1-[(3-methyl-1,2-oxazol-5-yl)amino]-1-oxopropan-2-yl] 1-(1,3-benzoxazol-2-yl)piperidine-4-carboxylate
SMILESCc1cc(NC(=O)[C@@H](C)OC(=O)C2CCN(c3nc4ccccc4o3)CC2)on1
InChIInChI=1S/C20H22N4O5/c1-12-11-17(29-23-12)22-18(25)13(2)27-19(26)14-7-9-24(10-8-14)20-21-15-5-3-4-6-16(15)28-20/h3-6,11,13-14H,7-10H2,1-2H3,(H,22,25)/t13-/m1/s1
InChIKeyGJGAUALABFZYJT-CYBMUJFWSA-N
MW398.42 g/mol
LogP2.91
Rot. Bonds5

About [(2R)-1-[(3-methyl-1,2-oxazol-5-yl)amino]-1-oxopropan-2-yl] 1-(1,3-benzoxazol-2-yl)piperidine-4-carboxylate

[(2R)-1-[(3-methyl-1,2-oxazol-5-yl)amino]-1-oxopropan-2-yl] 1-(1,3-benzoxazol-2-yl)piperidine-4-carboxylate (PubChem CID 26037244) has the molecular formula C20H22N4O5 and a molecular weight of 398.42 g/mol. Its IUPAC name is [(2R)-1-[(3-methyl-1,2-oxazol-5-yl)amino]-1-oxopropan-2-yl] 1-(1,3-benzoxazol-2-yl)piperidine-4-carboxylate.

Molecular Properties

Compound Name[(2R)-1-[(3-methyl-1,2-oxazol-5-yl)amino]-1-oxopropan-2-yl] 1-(1,3-benzoxazol-2-yl)piperidine-4-carboxylate
PubChem CID26037244
Molecular FormulaC20H22N4O5
Molecular Weight398.42 g/mol
Exact Mass398.16
IUPAC Name[(2R)-1-[(3-methyl-1,2-oxazol-5-yl)amino]-1-oxopropan-2-yl] 1-(1,3-benzoxazol-2-yl)piperidine-4-carboxylate
SMILESCc1cc(NC(=O)[C@@H](C)OC(=O)C2CCN(c3nc4ccccc4o3)CC2)on1
InChIInChI=1S/C20H22N4O5/c1-12-11-17(29-23-12)22-18(25)13(2)27-19(26)14-7-9-24(10-8-14)20-21-15-5-3-4-6-16(15)28-20/h3-6,11,13-14H,7-10H2,1-2H3,(H,22,25)/t13-/m1/s1
InChIKeyGJGAUALABFZYJT-CYBMUJFWSA-N
XLogP2.91
TPSA110.70 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.42
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [(2R)-1-[(3-methyl-1,2-oxazol-5-yl)amino]-1-oxopropan-2-yl] 1-(1,3-benzoxazol-2-yl)piperidine-4-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

[(2R)-3-oxobutan-2-yl] 1-(1,3-benzoxazol-2-yl)piperidine-4-carboxylate
CID 35738120
[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 1-(1,3-benzoxazol-2-yl)piperidine-4-carboxylate
CID 46697016
[1-[(3-methyl-1,2-oxazol-5-yl)amino]-1-oxopropan-2-yl] 1-(4-bromobenzoyl)piperidine-4-carboxylate
CID 24604179
N-[[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]methyl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 131893638
1-(1,3-benzoxazol-2-yl)-N-(3-methylbutan-2-yl)piperidine-4-carboxamide
CID 17456772
1-(1,3-benzoxazol-2-yl)-N'-(cyclopropanecarbonyl)piperidine-4-carbohydrazide
CID 26025752
1-(1,3-benzoxazol-2-yl)-N-(3-methylphenyl)piperidine-4-carboxamide
CID 17421563
N-(3-acetamidophenyl)-1-(1,3-benzoxazol-2-yl)piperidine-4-carboxamide
CID 17428124
[1-oxo-1-(3-oxo-4H-1,4-benzoxazin-6-yl)propan-2-yl] 1-(1,3-benzoxazol-2-yl)piperidine-4-carboxylate
CID 42933616
1-(1,3-benzoxazol-2-yl)-N-(3-methyl-5-phenyl-1,2-oxazol-4-yl)piperidine-4-carboxamide
CID 75456724
1-(1,3-benzoxazol-2-yl)-N-(1-cyclopropylethyl)piperidine-4-carboxamide
CID 134012022
(3-fluorophenyl) 1-(1,3-benzoxazol-2-yl)piperidine-4-carboxylate
CID 16590590

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[(3-methyl-1,2-oxazol-5-yl)amino]-1-oxopropan-2-yl] 1-(1,3-benzoxazol-2-yl)piperidine-4-carboxylate?
The IUPAC name of [(2R)-1-[(3-methyl-1,2-oxazol-5-yl)amino]-1-oxopropan-2-yl] 1-(1,3-benzoxazol-2-yl)piperidine-4-carboxylate (CID 26037244) is [(2R)-1-[(3-methyl-1,2-oxazol-5-yl)amino]-1-oxopropan-2-yl] 1-(1,3-benzoxazol-2-yl)piperidine-4-carboxylate.
What is the SMILES notation for [(2R)-1-[(3-methyl-1,2-oxazol-5-yl)amino]-1-oxopropan-2-yl] 1-(1,3-benzoxazol-2-yl)piperidine-4-carboxylate?
The canonical SMILES for [(2R)-1-[(3-methyl-1,2-oxazol-5-yl)amino]-1-oxopropan-2-yl] 1-(1,3-benzoxazol-2-yl)piperidine-4-carboxylate is Cc1cc(NC(=O)[C@@H](C)OC(=O)C2CCN(c3nc4ccccc4o3)CC2)on1.
What is the InChIKey of [(2R)-1-[(3-methyl-1,2-oxazol-5-yl)amino]-1-oxopropan-2-yl] 1-(1,3-benzoxazol-2-yl)piperidine-4-carboxylate?
The InChIKey is GJGAUALABFZYJT-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H22N4O5/c1-12-11-17(29-23-12)22-18(25)13(2)27-19(26)14-7-9-24(10-8-14)20-21-15-5-3-4-6-16(15)28-20/h3-6,11,13-14H,7-10H2,1-2H3,(H,22,25)/t13-/m1/s1.
What are the key properties of [(2R)-1-[(3-methyl-1,2-oxazol-5-yl)amino]-1-oxopropan-2-yl] 1-(1,3-benzoxazol-2-yl)piperidine-4-carboxylate?
[(2R)-1-[(3-methyl-1,2-oxazol-5-yl)amino]-1-oxopropan-2-yl] 1-(1,3-benzoxazol-2-yl)piperidine-4-carboxylate has a molecular weight of 398.42 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[(3-methyl-1,2-oxazol-5-yl)amino]-1-oxopropan-2-yl] 1-(1,3-benzoxazol-2-yl)piperidine-4-carboxylate is sourced from PubChem (CID 26037244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).