5-ethyl-N,3-dimethyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-1,2-oxazole-4-carboxamide

C19H26N4O2 — CID 128996808

IUPAC5-ethyl-N,3-dimethyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-1,2-oxazole-4-carboxamide
SMILESCCc1onc(C)c1C(=O)N(C)C[C@@H]1CCN(C)[C@H]1c1cccnc1
InChIInChI=1S/C19H26N4O2/c1-5-16-17(13(2)21-25-16)19(24)23(4)12-15-8-10-22(3)18(15)14-7-6-9-20-11-14/h6-7,9,11,15,18H,5,8,10,12H2,1-4H3/t15-,18-/m0/s1
InChIKeyPWSVVUWAJLZAHN-YJBOKZPZSA-N
MW342.44 g/mol
LogP2.71
Rot. Bonds5

About 5-ethyl-N,3-dimethyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-1,2-oxazole-4-carboxamide

5-ethyl-N,3-dimethyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-1,2-oxazole-4-carboxamide (PubChem CID 128996808) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 5-ethyl-N,3-dimethyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-ethyl-N,3-dimethyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-1,2-oxazole-4-carboxamide
PubChem CID128996808
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name5-ethyl-N,3-dimethyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-1,2-oxazole-4-carboxamide
SMILESCCc1onc(C)c1C(=O)N(C)C[C@@H]1CCN(C)[C@H]1c1cccnc1
InChIInChI=1S/C19H26N4O2/c1-5-16-17(13(2)21-25-16)19(24)23(4)12-15-8-10-22(3)18(15)14-7-6-9-20-11-14/h6-7,9,11,15,18H,5,8,10,12H2,1-4H3/t15-,18-/m0/s1
InChIKeyPWSVVUWAJLZAHN-YJBOKZPZSA-N
XLogP2.71
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N,3-dimethyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-1,2-oxazole-4-carboxamide?
The IUPAC name of 5-ethyl-N,3-dimethyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-1,2-oxazole-4-carboxamide (CID 128996808) is 5-ethyl-N,3-dimethyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 5-ethyl-N,3-dimethyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-1,2-oxazole-4-carboxamide?
The canonical SMILES for 5-ethyl-N,3-dimethyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-1,2-oxazole-4-carboxamide is CCc1onc(C)c1C(=O)N(C)C[C@@H]1CCN(C)[C@H]1c1cccnc1.
What is the InChIKey of 5-ethyl-N,3-dimethyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-1,2-oxazole-4-carboxamide?
The InChIKey is PWSVVUWAJLZAHN-YJBOKZPZSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-5-16-17(13(2)21-25-16)19(24)23(4)12-15-8-10-22(3)18(15)14-7-6-9-20-11-14/h6-7,9,11,15,18H,5,8,10,12H2,1-4H3/t15-,18-/m0/s1.
What are the key properties of 5-ethyl-N,3-dimethyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-1,2-oxazole-4-carboxamide?
5-ethyl-N,3-dimethyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-1,2-oxazole-4-carboxamide has a molecular weight of 342.44 g/mol, XLogP of 2.71, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N,3-dimethyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 128996808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).