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

C16H16N4O3 — CID 96559454

IUPACN-[(1R)-1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)N[C@H](C)c2noc(Cc3ccccc3)n2)no1
InChIInChI=1S/C16H16N4O3/c1-10-8-13(19-22-10)16(21)17-11(2)15-18-14(23-20-15)9-12-6-4-3-5-7-12/h3-8,11H,9H2,1-2H3,(H,17,21)/t11-/m1/s1
InChIKeyJWXOVGNJQWTERX-LLVKDONJSA-N
MW312.33 g/mol
LogP2.45
Rot. Bonds5

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

N-[(1R)-1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 96559454) has the molecular formula C16H16N4O3 and a molecular weight of 312.33 g/mol. Its IUPAC name is N-[(1R)-1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide
PubChem CID96559454
Molecular FormulaC16H16N4O3
Molecular Weight312.33 g/mol
Exact Mass312.12
IUPAC NameN-[(1R)-1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)N[C@H](C)c2noc(Cc3ccccc3)n2)no1
InChIInChI=1S/C16H16N4O3/c1-10-8-13(19-22-10)16(21)17-11(2)15-18-14(23-20-15)9-12-6-4-3-5-7-12/h3-8,11H,9H2,1-2H3,(H,17,21)/t11-/m1/s1
InChIKeyJWXOVGNJQWTERX-LLVKDONJSA-N
XLogP2.45
TPSA94.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-2-amino-N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]propanamide
CID 119340836
(2S)-2-amino-N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]propanamide;hydrochloride
CID 119340827
N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-3-hydroxypyridine-4-carboxamide
CID 84595307
N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-1H-indole-5-carboxamide
CID 71923906
N-[(1R)-1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(3-fluorophenyl)acetamide
CID 96559452
N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-1-methylpyrazole-4-carboxamide
CID 71976229
5-methyl-N-(1-phenylpropan-2-yl)-1,2-oxazole-3-carboxamide
CID 176958817
3-amino-N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-3-phenylpropanamide;hydrochloride
CID 119952323
(2S,4S)-N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-2-methylpiperidine-4-carboxamide
CID 120637714
1-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-3-(3-hydroxy-4-methylpentyl)urea
CID 111861288
(2S,5R)-5-(aminomethyl)-N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]oxolane-2-carboxamide
CID 120795854
N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide
CID 71860907

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[(1R)-1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide (CID 96559454) is N-[(1R)-1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[(1R)-1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[(1R)-1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide is Cc1cc(C(=O)N[C@H](C)c2noc(Cc3ccccc3)n2)no1.
What is the InChIKey of N-[(1R)-1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is JWXOVGNJQWTERX-LLVKDONJSA-N. The full InChI is InChI=1S/C16H16N4O3/c1-10-8-13(19-22-10)16(21)17-11(2)15-18-14(23-20-15)9-12-6-4-3-5-7-12/h3-8,11H,9H2,1-2H3,(H,17,21)/t11-/m1/s1.
What are the key properties of N-[(1R)-1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide?
N-[(1R)-1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 312.33 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 96559454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).