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

C15H18N6O2 — CID 25338281

IUPACN-[(3S,5S)-1-methyl-5-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]cyclopropanecarboxamide
SMILESCN1C[C@@H](NC(=O)C2CC2)C[C@H]1c1nc(-c2cnccn2)no1
InChIInChI=1S/C15H18N6O2/c1-21-8-10(18-14(22)9-2-3-9)6-12(21)15-19-13(20-23-15)11-7-16-4-5-17-11/h4-5,7,9-10,12H,2-3,6,8H2,1H3,(H,18,22)/t10-,12-/m0/s1
InChIKeyGTVHJXHWYVZAKZ-JQWIXIFHSA-N
MW314.35 g/mol
LogP0.80
Rot. Bonds4

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

N-[(3S,5S)-1-methyl-5-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]cyclopropanecarboxamide (PubChem CID 25338281) has the molecular formula C15H18N6O2 and a molecular weight of 314.35 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]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(3S,5S)-1-methyl-5-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]cyclopropanecarboxamide
PubChem CID25338281
Molecular FormulaC15H18N6O2
Molecular Weight314.35 g/mol
Exact Mass314.15
IUPAC NameN-[(3S,5S)-1-methyl-5-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]cyclopropanecarboxamide
SMILESCN1C[C@@H](NC(=O)C2CC2)C[C@H]1c1nc(-c2cnccn2)no1
InChIInChI=1S/C15H18N6O2/c1-21-8-10(18-14(22)9-2-3-9)6-12(21)15-19-13(20-23-15)11-7-16-4-5-17-11/h4-5,7,9-10,12H,2-3,6,8H2,1H3,(H,18,22)/t10-,12-/m0/s1
InChIKeyGTVHJXHWYVZAKZ-JQWIXIFHSA-N
XLogP0.80
TPSA97.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 50.80
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]cyclopropanecarboxamide?
The IUPAC name of N-[(3S,5S)-1-methyl-5-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]cyclopropanecarboxamide (CID 25338281) is N-[(3S,5S)-1-methyl-5-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]cyclopropanecarboxamide.
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]cyclopropanecarboxamide?
The canonical SMILES for N-[(3S,5S)-1-methyl-5-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]cyclopropanecarboxamide is CN1C[C@@H](NC(=O)C2CC2)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]cyclopropanecarboxamide?
The InChIKey is GTVHJXHWYVZAKZ-JQWIXIFHSA-N. The full InChI is InChI=1S/C15H18N6O2/c1-21-8-10(18-14(22)9-2-3-9)6-12(21)15-19-13(20-23-15)11-7-16-4-5-17-11/h4-5,7,9-10,12H,2-3,6,8H2,1H3,(H,18,22)/t10-,12-/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]cyclopropanecarboxamide?
N-[(3S,5S)-1-methyl-5-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]cyclopropanecarboxamide has a molecular weight of 314.35 g/mol, XLogP of 0.80, 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]cyclopropanecarboxamide is sourced from PubChem (CID 25338281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).