3-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]propanamide

C18H23N3O3 — CID 94025800

IUPAC3-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]propanamide
SMILESC[C@@H](NC(=O)CCc1nc(Cc2ccccc2)no1)[C@H]1CCCO1
InChIInChI=1S/C18H23N3O3/c1-13(15-8-5-11-23-15)19-17(22)9-10-18-20-16(21-24-18)12-14-6-3-2-4-7-14/h2-4,6-7,13,15H,5,8-12H2,1H3,(H,19,22)/t13-,15-/m1/s1
InChIKeyJIOPQKIGOPEWNF-UKRRQHHQSA-N
MW329.40 g/mol
LogP2.28
Rot. Bonds7

About 3-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]propanamide

3-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]propanamide (PubChem CID 94025800) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is 3-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]propanamide.

Molecular Properties

Compound Name3-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]propanamide
PubChem CID94025800
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name3-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]propanamide
SMILESC[C@@H](NC(=O)CCc1nc(Cc2ccccc2)no1)[C@H]1CCCO1
InChIInChI=1S/C18H23N3O3/c1-13(15-8-5-11-23-15)19-17(22)9-10-18-20-16(21-24-18)12-14-6-3-2-4-7-14/h2-4,6-7,13,15H,5,8-12H2,1H3,(H,19,22)/t13-,15-/m1/s1
InChIKeyJIOPQKIGOPEWNF-UKRRQHHQSA-N
XLogP2.28
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]-3-phenylpropanamide
CID 7346632
N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 35251222
N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 35251228
N-[1-(oxolan-2-yl)ethyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 47035759
3-(1H-benzimidazol-2-yl)-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]propanamide
CID 30902394
3-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]propanamide
CID 98682462
1-[1-(oxolan-2-yl)ethyl]-3-(4-phenylbutan-2-yl)urea
CID 134006695
2-benzyl-4-methyl-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]-1,3-thiazole-5-carboxamide
CID 35261312
2-amino-N-[1-(oxolan-2-yl)ethyl]-4-phenylbutanamide
CID 114925311
3-(1H-indol-3-yl)-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]propanamide
CID 35220767
3-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]propanamide
CID 96509436
N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-3-methylsulfanylpropanamide
CID 118781230

Frequently Asked Questions

What is the IUPAC name of 3-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]propanamide?
The IUPAC name of 3-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]propanamide (CID 94025800) is 3-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]propanamide.
What is the SMILES notation for 3-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]propanamide?
The canonical SMILES for 3-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]propanamide is C[C@@H](NC(=O)CCc1nc(Cc2ccccc2)no1)[C@H]1CCCO1.
What is the InChIKey of 3-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]propanamide?
The InChIKey is JIOPQKIGOPEWNF-UKRRQHHQSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-13(15-8-5-11-23-15)19-17(22)9-10-18-20-16(21-24-18)12-14-6-3-2-4-7-14/h2-4,6-7,13,15H,5,8-12H2,1H3,(H,19,22)/t13-,15-/m1/s1.
What are the key properties of 3-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]propanamide?
3-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]propanamide has a molecular weight of 329.40 g/mol, XLogP of 2.28, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]propanamide is sourced from PubChem (CID 94025800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).