N-[[(3S)-3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]-N,5-dimethyl-1,2-oxazole-3-carboxamide

C15H19N5O3 — CID 124966903

IUPACN-[[(3S)-3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]-N,5-dimethyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)N(C)C[C@]2(O)CCN(c3cnccn3)C2)no1
InChIInChI=1S/C15H19N5O3/c1-11-7-12(18-23-11)14(21)19(2)9-15(22)3-6-20(10-15)13-8-16-4-5-17-13/h4-5,7-8,22H,3,6,9-10H2,1-2H3/t15-/m1/s1
InChIKeyIOZZQARGPNUQMD-OAHLLOKOSA-N
MW317.35 g/mol
LogP0.49
Rot. Bonds4

About N-[[(3S)-3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]-N,5-dimethyl-1,2-oxazole-3-carboxamide

N-[[(3S)-3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]-N,5-dimethyl-1,2-oxazole-3-carboxamide (PubChem CID 124966903) has the molecular formula C15H19N5O3 and a molecular weight of 317.35 g/mol. Its IUPAC name is N-[[(3S)-3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]-N,5-dimethyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[[(3S)-3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]-N,5-dimethyl-1,2-oxazole-3-carboxamide
PubChem CID124966903
Molecular FormulaC15H19N5O3
Molecular Weight317.35 g/mol
Exact Mass317.15
IUPAC NameN-[[(3S)-3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]-N,5-dimethyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)N(C)C[C@]2(O)CCN(c3cnccn3)C2)no1
InChIInChI=1S/C15H19N5O3/c1-11-7-12(18-23-11)14(21)19(2)9-15(22)3-6-20(10-15)13-8-16-4-5-17-13/h4-5,7-8,22H,3,6,9-10H2,1-2H3/t15-/m1/s1
InChIKeyIOZZQARGPNUQMD-OAHLLOKOSA-N
XLogP0.49
TPSA95.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[[(3S)-3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]-N,5-dimethyl-1,2-oxazole-3-carboxamide with MolForge

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Related Compounds

N-[(3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl)methyl]-N,5-dimethyl-1,2-oxazole-3-carboxamide
CID 110158687
N-[[(3S)-3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]-N,3,5-trimethyl-1,2-oxazole-4-carboxamide
CID 125022017
N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-N-methylpyrazine-2-carboxamide
CID 124958674
N-[[(3S)-3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]-N-methyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 124964290
N-[(3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl)methyl]-N,4-dimethyl-1,3-thiazole-5-carboxamide
CID 110123761
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]-N-methylacetamide
CID 124980307
N-[(3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl)methyl]-N,1-dimethylpyrazole-3-carboxamide
CID 110123503
N-[[(3S)-3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide
CID 124943218
N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide
CID 124943217
N-[(3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl)methyl]-N,2-dimethylpyrimidine-5-carboxamide
CID 110123575
N-[[(3S)-3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]-4-(methoxymethyl)-N-methylbenzamide
CID 124963098
N-[(3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl)methyl]-N-methyl-3-(5-methylpyrazol-1-yl)propanamide
CID 110158678

Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]-N,5-dimethyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[[(3S)-3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]-N,5-dimethyl-1,2-oxazole-3-carboxamide (CID 124966903) is N-[[(3S)-3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]-N,5-dimethyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[[(3S)-3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]-N,5-dimethyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[[(3S)-3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]-N,5-dimethyl-1,2-oxazole-3-carboxamide is Cc1cc(C(=O)N(C)C[C@]2(O)CCN(c3cnccn3)C2)no1.
What is the InChIKey of N-[[(3S)-3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]-N,5-dimethyl-1,2-oxazole-3-carboxamide?
The InChIKey is IOZZQARGPNUQMD-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H19N5O3/c1-11-7-12(18-23-11)14(21)19(2)9-15(22)3-6-20(10-15)13-8-16-4-5-17-13/h4-5,7-8,22H,3,6,9-10H2,1-2H3/t15-/m1/s1.
What are the key properties of N-[[(3S)-3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]-N,5-dimethyl-1,2-oxazole-3-carboxamide?
N-[[(3S)-3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]-N,5-dimethyl-1,2-oxazole-3-carboxamide has a molecular weight of 317.35 g/mol, XLogP of 0.49, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S)-3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]-N,5-dimethyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 124966903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).