N-[[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]-2-phenyl-1,3-oxazole-4-carboxamide

C17H16N4O4 — CID 92903025

IUPACN-[[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]-2-phenyl-1,3-oxazole-4-carboxamide
SMILESO=C(NCc1noc([C@H]2CCCO2)n1)c1coc(-c2ccccc2)n1
InChIInChI=1S/C17H16N4O4/c22-15(12-10-24-16(19-12)11-5-2-1-3-6-11)18-9-14-20-17(25-21-14)13-7-4-8-23-13/h1-3,5-6,10,13H,4,7-9H2,(H,18,22)/t13-/m1/s1
InChIKeyNXYQNSWSBOFJGN-CYBMUJFWSA-N
MW340.34 g/mol
LogP2.51
Rot. Bonds5

About N-[[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]-2-phenyl-1,3-oxazole-4-carboxamide

N-[[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]-2-phenyl-1,3-oxazole-4-carboxamide (PubChem CID 92903025) has the molecular formula C17H16N4O4 and a molecular weight of 340.34 g/mol. Its IUPAC name is N-[[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]-2-phenyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]-2-phenyl-1,3-oxazole-4-carboxamide
PubChem CID92903025
Molecular FormulaC17H16N4O4
Molecular Weight340.34 g/mol
Exact Mass340.12
IUPAC NameN-[[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]-2-phenyl-1,3-oxazole-4-carboxamide
SMILESO=C(NCc1noc([C@H]2CCCO2)n1)c1coc(-c2ccccc2)n1
InChIInChI=1S/C17H16N4O4/c22-15(12-10-24-16(19-12)11-5-2-1-3-6-11)18-9-14-20-17(25-21-14)13-7-4-8-23-13/h1-3,5-6,10,13H,4,7-9H2,(H,18,22)/t13-/m1/s1
InChIKeyNXYQNSWSBOFJGN-CYBMUJFWSA-N
XLogP2.51
TPSA103.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.34
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]-2-phenyl-1,3-oxazole-4-carboxamide with MolForge

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Related Compounds

N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-phenyl-1,3-oxazole-4-carboxamide
CID 50755014
2-benzyl-N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-1,3-thiazole-4-carboxamide
CID 70748676
3-hydroxy-N-[[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]pyridine-2-carboxamide
CID 125437836
2-phenyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-1,3-oxazole-4-carboxamide
CID 50755040
2-methyl-N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-1-benzothiophene-3-carboxamide
CID 155502417
N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-2-(1,2,4-triazol-4-yl)benzamide
CID 121494507
5-ethyl-N-[[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]-1,3-oxazole-4-carboxamide
CID 125172135
N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-2-(4-phenylpiperidin-1-yl)acetamide
CID 72904628
N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-4-(pyridin-2-ylsulfanylmethyl)benzamide
CID 131925451
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]acetamide
CID 95867707
3,5-difluoro-N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]pyridine-2-carboxamide
CID 118786622
1-[[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]-3-(2-propan-2-ylphenyl)urea
CID 125167789

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]-2-phenyl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]-2-phenyl-1,3-oxazole-4-carboxamide (CID 92903025) is N-[[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]-2-phenyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]-2-phenyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]-2-phenyl-1,3-oxazole-4-carboxamide is O=C(NCc1noc([C@H]2CCCO2)n1)c1coc(-c2ccccc2)n1.
What is the InChIKey of N-[[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]-2-phenyl-1,3-oxazole-4-carboxamide?
The InChIKey is NXYQNSWSBOFJGN-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H16N4O4/c22-15(12-10-24-16(19-12)11-5-2-1-3-6-11)18-9-14-20-17(25-21-14)13-7-4-8-23-13/h1-3,5-6,10,13H,4,7-9H2,(H,18,22)/t13-/m1/s1.
What are the key properties of N-[[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]-2-phenyl-1,3-oxazole-4-carboxamide?
N-[[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]-2-phenyl-1,3-oxazole-4-carboxamide has a molecular weight of 340.34 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]-2-phenyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 92903025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).