2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]-N-methylacetamide

C17H23N5O3 — CID 124980307

IUPAC2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]-N-methylacetamide
SMILESCc1noc(C)c1CC(=O)N(C)C[C@@]1(O)CCN(c2cnccn2)C1
InChIInChI=1S/C17H23N5O3/c1-12-14(13(2)25-20-12)8-16(23)21(3)10-17(24)4-7-22(11-17)15-9-18-5-6-19-15/h5-6,9,24H,4,7-8,10-11H2,1-3H3/t17-/m0/s1
InChIKeyMHXVWTLRKCEYBH-KRWDZBQOSA-N
MW345.40 g/mol
LogP0.72
Rot. Bonds5

About 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]-N-methylacetamide

2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]-N-methylacetamide (PubChem CID 124980307) has the molecular formula C17H23N5O3 and a molecular weight of 345.40 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]-N-methylacetamide
PubChem CID124980307
Molecular FormulaC17H23N5O3
Molecular Weight345.40 g/mol
Exact Mass345.18
IUPAC Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]-N-methylacetamide
SMILESCc1noc(C)c1CC(=O)N(C)C[C@@]1(O)CCN(c2cnccn2)C1
InChIInChI=1S/C17H23N5O3/c1-12-14(13(2)25-20-12)8-16(23)21(3)10-17(24)4-7-22(11-17)15-9-18-5-6-19-15/h5-6,9,24H,4,7-8,10-11H2,1-3H3/t17-/m0/s1
InChIKeyMHXVWTLRKCEYBH-KRWDZBQOSA-N
XLogP0.72
TPSA95.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Launch Full Analysis

Related Compounds

N-[[(3S)-3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]-N,3,5-trimethyl-1,2-oxazole-4-carboxamide
CID 125022017
N-[[(3S)-3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 125015140
N-[[(3S)-3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]-N,5-dimethyl-1,2-oxazole-3-carboxamide
CID 124966903
N-[(3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl)methyl]-N,5-dimethyl-1,2-oxazole-3-carboxamide
CID 110158687
N-[(3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl)methyl]-N-methyl-3-(5-methylpyrazol-1-yl)propanamide
CID 110158678
N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]-N-methyl-2-thiophen-3-ylacetamide
CID 124961883
N-[(3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl)methyl]-N-methyl-2-(oxan-4-yl)acetamide
CID 110123845
N-[[(3S)-3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]-3-imidazol-1-yl-N-methylpropanamide
CID 125000869
N-[(3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl)methyl]-N,4-dimethyl-1,3-thiazole-5-carboxamide
CID 110123761
N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-N-methyl-2-pyridin-3-ylacetamide
CID 124991776
N-[[(3S)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-N-methyl-2-thiophen-2-ylacetamide
CID 124942401
2-(2-ethylimidazol-1-yl)-N-[(3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl)methyl]-N-methylacetamide
CID 110123789

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]-N-methylacetamide?
The IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]-N-methylacetamide (CID 124980307) is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]-N-methylacetamide.
What is the SMILES notation for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]-N-methylacetamide?
The canonical SMILES for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]-N-methylacetamide is Cc1noc(C)c1CC(=O)N(C)C[C@@]1(O)CCN(c2cnccn2)C1.
What is the InChIKey of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]-N-methylacetamide?
The InChIKey is MHXVWTLRKCEYBH-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H23N5O3/c1-12-14(13(2)25-20-12)8-16(23)21(3)10-17(24)4-7-22(11-17)15-9-18-5-6-19-15/h5-6,9,24H,4,7-8,10-11H2,1-3H3/t17-/m0/s1.
What are the key properties of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]-N-methylacetamide?
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]-N-methylacetamide has a molecular weight of 345.40 g/mol, XLogP of 0.72, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]-N-methylacetamide is sourced from PubChem (CID 124980307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).