propan-2-yl 5-[2-(oxolan-2-ylmethylcarbamoyl)phenyl]-1,3-oxazole-4-carboxylate

C19H22N2O5 — CID 46387177

IUPACpropan-2-yl 5-[2-(oxolan-2-ylmethylcarbamoyl)phenyl]-1,3-oxazole-4-carboxylate
SMILESCC(C)OC(=O)c1ncoc1-c1ccccc1C(=O)NCC1CCCO1
InChIInChI=1S/C19H22N2O5/c1-12(2)26-19(23)16-17(25-11-21-16)14-7-3-4-8-15(14)18(22)20-10-13-6-5-9-24-13/h3-4,7-8,11-13H,5-6,9-10H2,1-2H3,(H,20,22)
InChIKeyJSXHEUFVYQEYBD-UHFFFAOYSA-N
MW358.39 g/mol
LogP2.82
Rot. Bonds6

About propan-2-yl 5-[2-(oxolan-2-ylmethylcarbamoyl)phenyl]-1,3-oxazole-4-carboxylate

propan-2-yl 5-[2-(oxolan-2-ylmethylcarbamoyl)phenyl]-1,3-oxazole-4-carboxylate (PubChem CID 46387177) has the molecular formula C19H22N2O5 and a molecular weight of 358.39 g/mol. Its IUPAC name is propan-2-yl 5-[2-(oxolan-2-ylmethylcarbamoyl)phenyl]-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 5-[2-(oxolan-2-ylmethylcarbamoyl)phenyl]-1,3-oxazole-4-carboxylate
PubChem CID46387177
Molecular FormulaC19H22N2O5
Molecular Weight358.39 g/mol
Exact Mass358.15
IUPAC Namepropan-2-yl 5-[2-(oxolan-2-ylmethylcarbamoyl)phenyl]-1,3-oxazole-4-carboxylate
SMILESCC(C)OC(=O)c1ncoc1-c1ccccc1C(=O)NCC1CCCO1
InChIInChI=1S/C19H22N2O5/c1-12(2)26-19(23)16-17(25-11-21-16)14-7-3-4-8-15(14)18(22)20-10-13-6-5-9-24-13/h3-4,7-8,11-13H,5-6,9-10H2,1-2H3,(H,20,22)
InChIKeyJSXHEUFVYQEYBD-UHFFFAOYSA-N
XLogP2.82
TPSA90.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[(2S)-oxolan-2-yl]methyl]-2-phenylbenzamide
CID 686682
2-methylsulfanyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 2228852
2-chloro-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 668841
2-(5-formylfuran-2-yl)-N-(oxolan-2-ylmethyl)benzamide
CID 169333386
2-methyl-3-oxo-3-[2-(oxolan-2-ylmethylcarbamoyl)anilino]propanoic acid
CID 154795586
2-(2-methoxyethylsulfanyl)-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 2218436
N-[[(2S)-oxolan-2-yl]methyl]-2-phenoxypyridine-3-carboxamide
CID 32688545
2-[[(2R)-2-chloropropanoyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 92660378
2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 2023347
2-anilino-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 29238764
2-[[2-(2-methylpropoxy)benzoyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 4945492
2-[[2-(2-methylpropoxy)benzoyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 9206549

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 5-[2-(oxolan-2-ylmethylcarbamoyl)phenyl]-1,3-oxazole-4-carboxylate?
The IUPAC name of propan-2-yl 5-[2-(oxolan-2-ylmethylcarbamoyl)phenyl]-1,3-oxazole-4-carboxylate (CID 46387177) is propan-2-yl 5-[2-(oxolan-2-ylmethylcarbamoyl)phenyl]-1,3-oxazole-4-carboxylate.
What is the SMILES notation for propan-2-yl 5-[2-(oxolan-2-ylmethylcarbamoyl)phenyl]-1,3-oxazole-4-carboxylate?
The canonical SMILES for propan-2-yl 5-[2-(oxolan-2-ylmethylcarbamoyl)phenyl]-1,3-oxazole-4-carboxylate is CC(C)OC(=O)c1ncoc1-c1ccccc1C(=O)NCC1CCCO1.
What is the InChIKey of propan-2-yl 5-[2-(oxolan-2-ylmethylcarbamoyl)phenyl]-1,3-oxazole-4-carboxylate?
The InChIKey is JSXHEUFVYQEYBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O5/c1-12(2)26-19(23)16-17(25-11-21-16)14-7-3-4-8-15(14)18(22)20-10-13-6-5-9-24-13/h3-4,7-8,11-13H,5-6,9-10H2,1-2H3,(H,20,22).
What are the key properties of propan-2-yl 5-[2-(oxolan-2-ylmethylcarbamoyl)phenyl]-1,3-oxazole-4-carboxylate?
propan-2-yl 5-[2-(oxolan-2-ylmethylcarbamoyl)phenyl]-1,3-oxazole-4-carboxylate has a molecular weight of 358.39 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 5-[2-(oxolan-2-ylmethylcarbamoyl)phenyl]-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 46387177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).