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

C19H20N6O3 — CID 74506502

IUPACN-[4-[[4-hydroxy-2-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CN2CC(O)CC2c2nc(-c3cnccn3)no2)cc1
InChIInChI=1S/C19H20N6O3/c1-12(26)22-14-4-2-13(3-5-14)10-25-11-15(27)8-17(25)19-23-18(24-28-19)16-9-20-6-7-21-16/h2-7,9,15,17,27H,8,10-11H2,1H3,(H,22,26)
InChIKeyIUJGEEJMSXQUKE-UHFFFAOYSA-N
MW380.41 g/mol
LogP1.79
Rot. Bonds5

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

N-[4-[[4-hydroxy-2-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]phenyl]acetamide (PubChem CID 74506502) has the molecular formula C19H20N6O3 and a molecular weight of 380.41 g/mol. Its IUPAC name is N-[4-[[4-hydroxy-2-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[4-hydroxy-2-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]phenyl]acetamide
PubChem CID74506502
Molecular FormulaC19H20N6O3
Molecular Weight380.41 g/mol
Exact Mass380.16
IUPAC NameN-[4-[[4-hydroxy-2-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CN2CC(O)CC2c2nc(-c3cnccn3)no2)cc1
InChIInChI=1S/C19H20N6O3/c1-12(26)22-14-4-2-13(3-5-14)10-25-11-15(27)8-17(25)19-23-18(24-28-19)16-9-20-6-7-21-16/h2-7,9,15,17,27H,8,10-11H2,1H3,(H,22,26)
InChIKeyIUJGEEJMSXQUKE-UHFFFAOYSA-N
XLogP1.79
TPSA117.27 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.41
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

4-[[(2S,4R)-4-acetyloxy-2-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]benzoic acid
CID 86768975
3-[5-[1-[(4-acetamidophenyl)methyl]-4-hydroxypyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]-N-hydroxybenzeneamine oxide
CID 163136353
1-[(4-fluorophenyl)methyl]-5-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol
CID 74506631
N-[4-[[4-hydroxy-2-[3-[(4-methylphenyl)sulfonylmethyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methyl]phenyl]acetamide
CID 74506946
1-[[4-(dimethylamino)phenyl]methyl]-5-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol
CID 74506629
1-[(4-methoxyphenyl)methyl]-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol
CID 74506824
(3R,5S)-5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-(pyridin-3-ylmethyl)pyrrolidin-3-ol
CID 26744162
(3R,5S)-5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-[(4-pyridin-2-ylphenyl)methyl]pyrrolidin-3-ol
CID 26744186
1-(pyridin-4-ylmethyl)-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol
CID 74506891
1-[[4-(dimethylamino)phenyl]methyl]-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol
CID 74506877
4-[[4-hydroxy-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methyl]benzoic acid
CID 74507350
(3R,5S)-5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-[(4-methylphenyl)methyl]pyrrolidin-3-ol
CID 26744170

Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-hydroxy-2-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]phenyl]acetamide?
The IUPAC name of N-[4-[[4-hydroxy-2-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]phenyl]acetamide (CID 74506502) is N-[4-[[4-hydroxy-2-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[4-hydroxy-2-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[4-hydroxy-2-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]phenyl]acetamide is CC(=O)Nc1ccc(CN2CC(O)CC2c2nc(-c3cnccn3)no2)cc1.
What is the InChIKey of N-[4-[[4-hydroxy-2-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]phenyl]acetamide?
The InChIKey is IUJGEEJMSXQUKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O3/c1-12(26)22-14-4-2-13(3-5-14)10-25-11-15(27)8-17(25)19-23-18(24-28-19)16-9-20-6-7-21-16/h2-7,9,15,17,27H,8,10-11H2,1H3,(H,22,26).
What are the key properties of N-[4-[[4-hydroxy-2-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]phenyl]acetamide?
N-[4-[[4-hydroxy-2-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]phenyl]acetamide has a molecular weight of 380.41 g/mol, XLogP of 1.79, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-hydroxy-2-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]phenyl]acetamide is sourced from PubChem (CID 74506502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).