N-[(3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl)methyl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide

C14H18N6O3 — CID 110123752

IUPACN-[(3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl)methyl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
SMILESCc1nonc1CC(=O)NCC1(O)CCN(c2cnccn2)C1
InChIInChI=1S/C14H18N6O3/c1-10-11(19-23-18-10)6-13(21)17-8-14(22)2-5-20(9-14)12-7-15-3-4-16-12/h3-4,7,22H,2,5-6,8-9H2,1H3,(H,17,21)
InChIKeyHPICBFCUTYGZEA-UHFFFAOYSA-N
MW318.34 g/mol
LogP-0.53
Rot. Bonds5

About N-[(3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl)methyl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide

N-[(3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl)methyl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide (PubChem CID 110123752) has the molecular formula C14H18N6O3 and a molecular weight of 318.34 g/mol. Its IUPAC name is N-[(3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl)methyl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide.

Molecular Properties

Compound NameN-[(3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl)methyl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
PubChem CID110123752
Molecular FormulaC14H18N6O3
Molecular Weight318.34 g/mol
Exact Mass318.14
IUPAC NameN-[(3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl)methyl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
SMILESCc1nonc1CC(=O)NCC1(O)CCN(c2cnccn2)C1
InChIInChI=1S/C14H18N6O3/c1-10-11(19-23-18-10)6-13(21)17-8-14(22)2-5-20(9-14)12-7-15-3-4-16-12/h3-4,7,22H,2,5-6,8-9H2,1H3,(H,17,21)
InChIKeyHPICBFCUTYGZEA-UHFFFAOYSA-N
XLogP-0.53
TPSA117.27 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 5-0.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[[(3S)-3-hydroxy-1-pyridin-2-ylpyrrolidin-3-yl]methyl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
CID 124978863
N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]-2-(5-methylthiophen-2-yl)acetamide
CID 125007177
2-(1-hydroxycyclohexyl)-N-[(3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl)methyl]acetamide
CID 110123809
N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]-2-morpholin-4-ylacetamide
CID 125017904
N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]-2-(2-methoxy-5-methylphenyl)acetamide
CID 124999254
N-[(3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl)methyl]-3-pyridin-3-ylpropanamide
CID 110123804
N-[(3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl)methyl]-3-thiophen-2-ylpropanamide
CID 110123769
N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]-1,6-dimethyl-2-oxopyridine-3-carboxamide
CID 124976103
N-[[(3S)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 124977632
N-[(3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl)methyl]-5-methyl-3-propan-2-yl-1,2-oxazole-4-carboxamide
CID 110123523
N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-2-propan-2-ylpyrimidine-5-carboxamide
CID 124988701
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]-N-methylacetamide
CID 124980307

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl)methyl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide?
The IUPAC name of N-[(3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl)methyl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide (CID 110123752) is N-[(3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl)methyl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide.
What is the SMILES notation for N-[(3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl)methyl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide?
The canonical SMILES for N-[(3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl)methyl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide is Cc1nonc1CC(=O)NCC1(O)CCN(c2cnccn2)C1.
What is the InChIKey of N-[(3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl)methyl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide?
The InChIKey is HPICBFCUTYGZEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6O3/c1-10-11(19-23-18-10)6-13(21)17-8-14(22)2-5-20(9-14)12-7-15-3-4-16-12/h3-4,7,22H,2,5-6,8-9H2,1H3,(H,17,21).
What are the key properties of N-[(3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl)methyl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide?
N-[(3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl)methyl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide has a molecular weight of 318.34 g/mol, XLogP of -0.53, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl)methyl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide is sourced from PubChem (CID 110123752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).