5-[(3S)-1-methylpyrrolidin-3-yl]-3-[(2-phenyl-1,3-oxazol-4-yl)methyl]-1,2,4-oxadiazole

C17H18N4O2 — CID 166300400

IUPAC5-[(3S)-1-methylpyrrolidin-3-yl]-3-[(2-phenyl-1,3-oxazol-4-yl)methyl]-1,2,4-oxadiazole
SMILESCN1CC[C@H](c2nc(Cc3coc(-c4ccccc4)n3)no2)C1
InChIInChI=1S/C17H18N4O2/c1-21-8-7-13(10-21)17-19-15(20-23-17)9-14-11-22-16(18-14)12-5-3-2-4-6-12/h2-6,11,13H,7-10H2,1H3/t13-/m0/s1
InChIKeyNNCWQXKOVNHOBO-ZDUSSCGKSA-N
MW310.36 g/mol
LogP2.73
Rot. Bonds4

About 5-[(3S)-1-methylpyrrolidin-3-yl]-3-[(2-phenyl-1,3-oxazol-4-yl)methyl]-1,2,4-oxadiazole

5-[(3S)-1-methylpyrrolidin-3-yl]-3-[(2-phenyl-1,3-oxazol-4-yl)methyl]-1,2,4-oxadiazole (PubChem CID 166300400) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is 5-[(3S)-1-methylpyrrolidin-3-yl]-3-[(2-phenyl-1,3-oxazol-4-yl)methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(3S)-1-methylpyrrolidin-3-yl]-3-[(2-phenyl-1,3-oxazol-4-yl)methyl]-1,2,4-oxadiazole
PubChem CID166300400
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC Name5-[(3S)-1-methylpyrrolidin-3-yl]-3-[(2-phenyl-1,3-oxazol-4-yl)methyl]-1,2,4-oxadiazole
SMILESCN1CC[C@H](c2nc(Cc3coc(-c4ccccc4)n3)no2)C1
InChIInChI=1S/C17H18N4O2/c1-21-8-7-13(10-21)17-19-15(20-23-17)9-14-11-22-16(18-14)12-5-3-2-4-6-12/h2-6,11,13H,7-10H2,1H3/t13-/m0/s1
InChIKeyNNCWQXKOVNHOBO-ZDUSSCGKSA-N
XLogP2.73
TPSA68.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-[(3S)-1-methylpyrrolidin-3-yl]-3-[(2-phenyl-1,3-oxazol-4-yl)methyl]-1,2,4-oxadiazole with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[(3S)-1-methylpyrrolidin-3-yl]-3-[(2-phenyl-1,3-oxazol-4-yl)methyl]-1,2,4-oxadiazole?
The IUPAC name of 5-[(3S)-1-methylpyrrolidin-3-yl]-3-[(2-phenyl-1,3-oxazol-4-yl)methyl]-1,2,4-oxadiazole (CID 166300400) is 5-[(3S)-1-methylpyrrolidin-3-yl]-3-[(2-phenyl-1,3-oxazol-4-yl)methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(3S)-1-methylpyrrolidin-3-yl]-3-[(2-phenyl-1,3-oxazol-4-yl)methyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-[(3S)-1-methylpyrrolidin-3-yl]-3-[(2-phenyl-1,3-oxazol-4-yl)methyl]-1,2,4-oxadiazole is CN1CC[C@H](c2nc(Cc3coc(-c4ccccc4)n3)no2)C1.
What is the InChIKey of 5-[(3S)-1-methylpyrrolidin-3-yl]-3-[(2-phenyl-1,3-oxazol-4-yl)methyl]-1,2,4-oxadiazole?
The InChIKey is NNCWQXKOVNHOBO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-21-8-7-13(10-21)17-19-15(20-23-17)9-14-11-22-16(18-14)12-5-3-2-4-6-12/h2-6,11,13H,7-10H2,1H3/t13-/m0/s1.
What are the key properties of 5-[(3S)-1-methylpyrrolidin-3-yl]-3-[(2-phenyl-1,3-oxazol-4-yl)methyl]-1,2,4-oxadiazole?
5-[(3S)-1-methylpyrrolidin-3-yl]-3-[(2-phenyl-1,3-oxazol-4-yl)methyl]-1,2,4-oxadiazole has a molecular weight of 310.36 g/mol, XLogP of 2.73, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3S)-1-methylpyrrolidin-3-yl]-3-[(2-phenyl-1,3-oxazol-4-yl)methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 166300400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).