3-[[5-[(2S,3S)-2-pyridin-3-yloxolan-3-yl]-1,2,4-oxadiazol-3-yl]methyl]benzamide

C19H18N4O3 — CID 126816168

IUPAC3-[[5-[(2S,3S)-2-pyridin-3-yloxolan-3-yl]-1,2,4-oxadiazol-3-yl]methyl]benzamide
SMILESNC(=O)c1cccc(Cc2noc([C@H]3CCO[C@@H]3c3cccnc3)n2)c1
InChIInChI=1S/C19H18N4O3/c20-18(24)13-4-1-3-12(9-13)10-16-22-19(26-23-16)15-6-8-25-17(15)14-5-2-7-21-11-14/h1-5,7,9,11,15,17H,6,8,10H2,(H2,20,24)/t15-,17+/m0/s1
InChIKeyZFLUWVPUFRCDOL-DOTOQJQBSA-N
MW350.38 g/mol
LogP2.40
Rot. Bonds5

About 3-[[5-[(2S,3S)-2-pyridin-3-yloxolan-3-yl]-1,2,4-oxadiazol-3-yl]methyl]benzamide

3-[[5-[(2S,3S)-2-pyridin-3-yloxolan-3-yl]-1,2,4-oxadiazol-3-yl]methyl]benzamide (PubChem CID 126816168) has the molecular formula C19H18N4O3 and a molecular weight of 350.38 g/mol. Its IUPAC name is 3-[[5-[(2S,3S)-2-pyridin-3-yloxolan-3-yl]-1,2,4-oxadiazol-3-yl]methyl]benzamide.

Molecular Properties

Compound Name3-[[5-[(2S,3S)-2-pyridin-3-yloxolan-3-yl]-1,2,4-oxadiazol-3-yl]methyl]benzamide
PubChem CID126816168
Molecular FormulaC19H18N4O3
Molecular Weight350.38 g/mol
Exact Mass350.14
IUPAC Name3-[[5-[(2S,3S)-2-pyridin-3-yloxolan-3-yl]-1,2,4-oxadiazol-3-yl]methyl]benzamide
SMILESNC(=O)c1cccc(Cc2noc([C@H]3CCO[C@@H]3c3cccnc3)n2)c1
InChIInChI=1S/C19H18N4O3/c20-18(24)13-4-1-3-12(9-13)10-16-22-19(26-23-16)15-6-8-25-17(15)14-5-2-7-21-11-14/h1-5,7,9,11,15,17H,6,8,10H2,(H2,20,24)/t15-,17+/m0/s1
InChIKeyZFLUWVPUFRCDOL-DOTOQJQBSA-N
XLogP2.40
TPSA104.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[[5-[(2S,3S)-2-pyridin-3-yloxolan-3-yl]-1,2,4-oxadiazol-3-yl]methyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-(pyridin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylic acid
CID 62550871
5-[(2S)-oxolan-2-yl]-3-(pyridin-3-ylmethyl)-1,2,4-oxadiazole
CID 97251152
5-(2-methylpyrrolidin-3-yl)-3-(pyridin-3-ylmethyl)-1,2,4-oxadiazole
CID 79372126
3-[[5-[(3aR,7aS)-1,2,3,4,5,6,7,7a-octahydroindol-3a-yl]-1,2,4-oxadiazol-3-yl]methyl]benzamide
CID 167867233
N-[(3-methylphenyl)methyl]-2-[5-[(2R,3R)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]-1,2,4-oxadiazol-3-yl]acetamide
CID 126813533
2-[3-(pyridin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-one
CID 55201048
(2S,3S)-2-pyridin-3-yloxolan-3-amine
CID 124511858
3-benzyl-5-[1-(pyridin-3-ylmethyl)azetidin-3-yl]-1,2,4-oxadiazole;oxalic acid
CID 71783714
3-(pyridin-3-ylmethyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole
CID 55087040
3-[(4-methoxyphenyl)methyl]-5-[(2S,3S)-3-phenyloxolan-2-yl]-1,2,4-oxadiazole
CID 128994621
3-[[[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]methylamino]methyl]benzamide
CID 97009863
3-benzylbenzamide;hydrochloride
CID 159409318

Frequently Asked Questions

What is the IUPAC name of 3-[[5-[(2S,3S)-2-pyridin-3-yloxolan-3-yl]-1,2,4-oxadiazol-3-yl]methyl]benzamide?
The IUPAC name of 3-[[5-[(2S,3S)-2-pyridin-3-yloxolan-3-yl]-1,2,4-oxadiazol-3-yl]methyl]benzamide (CID 126816168) is 3-[[5-[(2S,3S)-2-pyridin-3-yloxolan-3-yl]-1,2,4-oxadiazol-3-yl]methyl]benzamide.
What is the SMILES notation for 3-[[5-[(2S,3S)-2-pyridin-3-yloxolan-3-yl]-1,2,4-oxadiazol-3-yl]methyl]benzamide?
The canonical SMILES for 3-[[5-[(2S,3S)-2-pyridin-3-yloxolan-3-yl]-1,2,4-oxadiazol-3-yl]methyl]benzamide is NC(=O)c1cccc(Cc2noc([C@H]3CCO[C@@H]3c3cccnc3)n2)c1.
What is the InChIKey of 3-[[5-[(2S,3S)-2-pyridin-3-yloxolan-3-yl]-1,2,4-oxadiazol-3-yl]methyl]benzamide?
The InChIKey is ZFLUWVPUFRCDOL-DOTOQJQBSA-N. The full InChI is InChI=1S/C19H18N4O3/c20-18(24)13-4-1-3-12(9-13)10-16-22-19(26-23-16)15-6-8-25-17(15)14-5-2-7-21-11-14/h1-5,7,9,11,15,17H,6,8,10H2,(H2,20,24)/t15-,17+/m0/s1.
What are the key properties of 3-[[5-[(2S,3S)-2-pyridin-3-yloxolan-3-yl]-1,2,4-oxadiazol-3-yl]methyl]benzamide?
3-[[5-[(2S,3S)-2-pyridin-3-yloxolan-3-yl]-1,2,4-oxadiazol-3-yl]methyl]benzamide has a molecular weight of 350.38 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-[(2S,3S)-2-pyridin-3-yloxolan-3-yl]-1,2,4-oxadiazol-3-yl]methyl]benzamide is sourced from PubChem (CID 126816168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).