N-[(3S,5S)-1-methyl-5-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]benzamide

C18H18N6O2 — CID 25338279

IUPACN-[(3S,5S)-1-methyl-5-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]benzamide
SMILESCN1C[C@@H](NC(=O)c2ccccc2)C[C@H]1c1nc(-c2cnccn2)no1
InChIInChI=1S/C18H18N6O2/c1-24-11-13(21-17(25)12-5-3-2-4-6-12)9-15(24)18-22-16(23-26-18)14-10-19-7-8-20-14/h2-8,10,13,15H,9,11H2,1H3,(H,21,25)/t13-,15-/m0/s1
InChIKeyZFAMNRCWHAAOCJ-ZFWWWQNUSA-N
MW350.38 g/mol
LogP1.70
Rot. Bonds4

About N-[(3S,5S)-1-methyl-5-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]benzamide

N-[(3S,5S)-1-methyl-5-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]benzamide (PubChem CID 25338279) has the molecular formula C18H18N6O2 and a molecular weight of 350.38 g/mol. Its IUPAC name is N-[(3S,5S)-1-methyl-5-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]benzamide.

Molecular Properties

Compound NameN-[(3S,5S)-1-methyl-5-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]benzamide
PubChem CID25338279
Molecular FormulaC18H18N6O2
Molecular Weight350.38 g/mol
Exact Mass350.15
IUPAC NameN-[(3S,5S)-1-methyl-5-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]benzamide
SMILESCN1C[C@@H](NC(=O)c2ccccc2)C[C@H]1c1nc(-c2cnccn2)no1
InChIInChI=1S/C18H18N6O2/c1-24-11-13(21-17(25)12-5-3-2-4-6-12)9-15(24)18-22-16(23-26-18)14-10-19-7-8-20-14/h2-8,10,13,15H,9,11H2,1H3,(H,21,25)/t13-,15-/m0/s1
InChIKeyZFAMNRCWHAAOCJ-ZFWWWQNUSA-N
XLogP1.70
TPSA97.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,5S)-1-methyl-5-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]benzamide?
The IUPAC name of N-[(3S,5S)-1-methyl-5-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]benzamide (CID 25338279) is N-[(3S,5S)-1-methyl-5-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]benzamide.
What is the SMILES notation for N-[(3S,5S)-1-methyl-5-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]benzamide?
The canonical SMILES for N-[(3S,5S)-1-methyl-5-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]benzamide is CN1C[C@@H](NC(=O)c2ccccc2)C[C@H]1c1nc(-c2cnccn2)no1.
What is the InChIKey of N-[(3S,5S)-1-methyl-5-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]benzamide?
The InChIKey is ZFAMNRCWHAAOCJ-ZFWWWQNUSA-N. The full InChI is InChI=1S/C18H18N6O2/c1-24-11-13(21-17(25)12-5-3-2-4-6-12)9-15(24)18-22-16(23-26-18)14-10-19-7-8-20-14/h2-8,10,13,15H,9,11H2,1H3,(H,21,25)/t13-,15-/m0/s1.
What are the key properties of N-[(3S,5S)-1-methyl-5-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]benzamide?
N-[(3S,5S)-1-methyl-5-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]benzamide has a molecular weight of 350.38 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,5S)-1-methyl-5-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]benzamide is sourced from PubChem (CID 25338279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).