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

C19H26N4O3 — CID 125016063

IUPACN-[[(3S)-3-hydroxy-1-pyridin-2-ylpyrrolidin-3-yl]methyl]-N-methyl-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide
SMILESCC(C)Cc1cc(C(=O)N(C)C[C@]2(O)CCN(c3ccccn3)C2)on1
InChIInChI=1S/C19H26N4O3/c1-14(2)10-15-11-16(26-21-15)18(24)22(3)12-19(25)7-9-23(13-19)17-6-4-5-8-20-17/h4-6,8,11,14,25H,7,9-10,12-13H2,1-3H3/t19-/m1/s1
InChIKeyWXYOTBJCWIQQKM-LJQANCHMSA-N
MW358.44 g/mol
LogP1.98
Rot. Bonds6

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

N-[[(3S)-3-hydroxy-1-pyridin-2-ylpyrrolidin-3-yl]methyl]-N-methyl-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide (PubChem CID 125016063) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is N-[[(3S)-3-hydroxy-1-pyridin-2-ylpyrrolidin-3-yl]methyl]-N-methyl-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[[(3S)-3-hydroxy-1-pyridin-2-ylpyrrolidin-3-yl]methyl]-N-methyl-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide
PubChem CID125016063
Molecular FormulaC19H26N4O3
Molecular Weight358.44 g/mol
Exact Mass358.20
IUPAC NameN-[[(3S)-3-hydroxy-1-pyridin-2-ylpyrrolidin-3-yl]methyl]-N-methyl-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide
SMILESCC(C)Cc1cc(C(=O)N(C)C[C@]2(O)CCN(c3ccccn3)C2)on1
InChIInChI=1S/C19H26N4O3/c1-14(2)10-15-11-16(26-21-15)18(24)22(3)12-19(25)7-9-23(13-19)17-6-4-5-8-20-17/h4-6,8,11,14,25H,7,9-10,12-13H2,1-3H3/t19-/m1/s1
InChIKeyWXYOTBJCWIQQKM-LJQANCHMSA-N
XLogP1.98
TPSA82.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[(3S)-3-hydroxy-1-pyridin-2-ylpyrrolidin-3-yl]methyl]-N-methyl-5-propyl-1,2-oxazole-3-carboxamide
CID 124985167
2-(1-hydroxycyclohexyl)-N-[(3-hydroxy-1-pyridin-2-ylpyrrolidin-3-yl)methyl]-N-methylacetamide
CID 110124246
N-[(3-hydroxy-1-pyridin-2-ylpyrrolidin-3-yl)methyl]-N-methylcyclopropanecarboxamide
CID 110124176
N-[[(3R)-3-hydroxy-1-pyridin-2-ylpyrrolidin-3-yl]methyl]-N-methyl-1-propylpyrazole-3-carboxamide
CID 124965660
3-ethyl-N-[[(3R)-3-hydroxy-1-pyridin-2-ylpiperidin-3-yl]methyl]-N,5-dimethyl-1,2-oxazole-4-carboxamide
CID 124959595
N-[[(3S)-3-hydroxy-1-pyridin-2-ylpiperidin-3-yl]methyl]-N,1-dimethylimidazole-4-carboxamide
CID 125025521
N-[(3-hydroxy-1-pyridin-2-ylpyrrolidin-3-yl)methyl]-N-methyl-3-(5-methylpyrazol-1-yl)propanamide
CID 110124186
N-[[(3S)-3-hydroxy-1-pyridin-2-ylpiperidin-3-yl]methyl]-N,3-dimethylpyridine-2-carboxamide
CID 125015256
N-[[(3S)-3-hydroxy-1-pyridin-2-ylpiperidin-3-yl]methyl]-N,5-dimethylpyrazine-2-carboxamide
CID 124979178
N-[(3-hydroxy-1-pyridin-2-ylpiperidin-3-yl)methyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 110124022
N-[[(3R)-3-hydroxy-1-pyridin-2-ylpiperidin-3-yl]methyl]-N-methylthiophene-3-carboxamide
CID 124996231
N-[(3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl)methyl]-N,5-dimethyl-1,2-oxazole-3-carboxamide
CID 110158687

Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-3-hydroxy-1-pyridin-2-ylpyrrolidin-3-yl]methyl]-N-methyl-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[[(3S)-3-hydroxy-1-pyridin-2-ylpyrrolidin-3-yl]methyl]-N-methyl-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide (CID 125016063) is N-[[(3S)-3-hydroxy-1-pyridin-2-ylpyrrolidin-3-yl]methyl]-N-methyl-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[[(3S)-3-hydroxy-1-pyridin-2-ylpyrrolidin-3-yl]methyl]-N-methyl-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[[(3S)-3-hydroxy-1-pyridin-2-ylpyrrolidin-3-yl]methyl]-N-methyl-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide is CC(C)Cc1cc(C(=O)N(C)C[C@]2(O)CCN(c3ccccn3)C2)on1.
What is the InChIKey of N-[[(3S)-3-hydroxy-1-pyridin-2-ylpyrrolidin-3-yl]methyl]-N-methyl-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide?
The InChIKey is WXYOTBJCWIQQKM-LJQANCHMSA-N. The full InChI is InChI=1S/C19H26N4O3/c1-14(2)10-15-11-16(26-21-15)18(24)22(3)12-19(25)7-9-23(13-19)17-6-4-5-8-20-17/h4-6,8,11,14,25H,7,9-10,12-13H2,1-3H3/t19-/m1/s1.
What are the key properties of N-[[(3S)-3-hydroxy-1-pyridin-2-ylpyrrolidin-3-yl]methyl]-N-methyl-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide?
N-[[(3S)-3-hydroxy-1-pyridin-2-ylpyrrolidin-3-yl]methyl]-N-methyl-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide has a molecular weight of 358.44 g/mol, XLogP of 1.98, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S)-3-hydroxy-1-pyridin-2-ylpyrrolidin-3-yl]methyl]-N-methyl-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 125016063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).