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

C16H21N5O2 — CID 91923186

IUPACN-[(3S,4R)-4-[(dimethylamino)methyl]-1-pyridin-2-ylpyrrolidin-3-yl]-1,3-oxazole-5-carboxamide
SMILESCN(C)C[C@@H]1CN(c2ccccn2)C[C@H]1NC(=O)c1cnco1
InChIInChI=1S/C16H21N5O2/c1-20(2)8-12-9-21(15-5-3-4-6-18-15)10-13(12)19-16(22)14-7-17-11-23-14/h3-7,11-13H,8-10H2,1-2H3,(H,19,22)/t12-,13-/m1/s1
InChIKeyNOSYLBOGOSPJQA-CHWSQXEVSA-N
MW315.38 g/mol
LogP0.87
Rot. Bonds5

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

N-[(3S,4R)-4-[(dimethylamino)methyl]-1-pyridin-2-ylpyrrolidin-3-yl]-1,3-oxazole-5-carboxamide (PubChem CID 91923186) has the molecular formula C16H21N5O2 and a molecular weight of 315.38 g/mol. Its IUPAC name is N-[(3S,4R)-4-[(dimethylamino)methyl]-1-pyridin-2-ylpyrrolidin-3-yl]-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[(3S,4R)-4-[(dimethylamino)methyl]-1-pyridin-2-ylpyrrolidin-3-yl]-1,3-oxazole-5-carboxamide
PubChem CID91923186
Molecular FormulaC16H21N5O2
Molecular Weight315.38 g/mol
Exact Mass315.17
IUPAC NameN-[(3S,4R)-4-[(dimethylamino)methyl]-1-pyridin-2-ylpyrrolidin-3-yl]-1,3-oxazole-5-carboxamide
SMILESCN(C)C[C@@H]1CN(c2ccccn2)C[C@H]1NC(=O)c1cnco1
InChIInChI=1S/C16H21N5O2/c1-20(2)8-12-9-21(15-5-3-4-6-18-15)10-13(12)19-16(22)14-7-17-11-23-14/h3-7,11-13H,8-10H2,1-2H3,(H,19,22)/t12-,13-/m1/s1
InChIKeyNOSYLBOGOSPJQA-CHWSQXEVSA-N
XLogP0.87
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-4-[(dimethylamino)methyl]-1-pyridin-2-ylpyrrolidin-3-yl]-1,3-oxazole-5-carboxamide?
The IUPAC name of N-[(3S,4R)-4-[(dimethylamino)methyl]-1-pyridin-2-ylpyrrolidin-3-yl]-1,3-oxazole-5-carboxamide (CID 91923186) is N-[(3S,4R)-4-[(dimethylamino)methyl]-1-pyridin-2-ylpyrrolidin-3-yl]-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-[(3S,4R)-4-[(dimethylamino)methyl]-1-pyridin-2-ylpyrrolidin-3-yl]-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-[(3S,4R)-4-[(dimethylamino)methyl]-1-pyridin-2-ylpyrrolidin-3-yl]-1,3-oxazole-5-carboxamide is CN(C)C[C@@H]1CN(c2ccccn2)C[C@H]1NC(=O)c1cnco1.
What is the InChIKey of N-[(3S,4R)-4-[(dimethylamino)methyl]-1-pyridin-2-ylpyrrolidin-3-yl]-1,3-oxazole-5-carboxamide?
The InChIKey is NOSYLBOGOSPJQA-CHWSQXEVSA-N. The full InChI is InChI=1S/C16H21N5O2/c1-20(2)8-12-9-21(15-5-3-4-6-18-15)10-13(12)19-16(22)14-7-17-11-23-14/h3-7,11-13H,8-10H2,1-2H3,(H,19,22)/t12-,13-/m1/s1.
What are the key properties of N-[(3S,4R)-4-[(dimethylamino)methyl]-1-pyridin-2-ylpyrrolidin-3-yl]-1,3-oxazole-5-carboxamide?
N-[(3S,4R)-4-[(dimethylamino)methyl]-1-pyridin-2-ylpyrrolidin-3-yl]-1,3-oxazole-5-carboxamide has a molecular weight of 315.38 g/mol, XLogP of 0.87, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-4-[(dimethylamino)methyl]-1-pyridin-2-ylpyrrolidin-3-yl]-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 91923186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).