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

C15H20N6O2 — CID 91911102

IUPACN-[(3S,4R)-4-[(dimethylamino)methyl]-1-pyrimidin-2-ylpyrrolidin-3-yl]-1,3-oxazole-5-carboxamide
SMILESCN(C)C[C@@H]1CN(c2ncccn2)C[C@H]1NC(=O)c1cnco1
InChIInChI=1S/C15H20N6O2/c1-20(2)7-11-8-21(15-17-4-3-5-18-15)9-12(11)19-14(22)13-6-16-10-23-13/h3-6,10-12H,7-9H2,1-2H3,(H,19,22)/t11-,12-/m1/s1
InChIKeyYSLVIFDBLSESFH-VXGBXAGGSA-N
MW316.37 g/mol
LogP0.26
Rot. Bonds5

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

N-[(3S,4R)-4-[(dimethylamino)methyl]-1-pyrimidin-2-ylpyrrolidin-3-yl]-1,3-oxazole-5-carboxamide (PubChem CID 91911102) has the molecular formula C15H20N6O2 and a molecular weight of 316.37 g/mol. Its IUPAC name is N-[(3S,4R)-4-[(dimethylamino)methyl]-1-pyrimidin-2-ylpyrrolidin-3-yl]-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[(3S,4R)-4-[(dimethylamino)methyl]-1-pyrimidin-2-ylpyrrolidin-3-yl]-1,3-oxazole-5-carboxamide
PubChem CID91911102
Molecular FormulaC15H20N6O2
Molecular Weight316.37 g/mol
Exact Mass316.16
IUPAC NameN-[(3S,4R)-4-[(dimethylamino)methyl]-1-pyrimidin-2-ylpyrrolidin-3-yl]-1,3-oxazole-5-carboxamide
SMILESCN(C)C[C@@H]1CN(c2ncccn2)C[C@H]1NC(=O)c1cnco1
InChIInChI=1S/C15H20N6O2/c1-20(2)7-11-8-21(15-17-4-3-5-18-15)9-12(11)19-14(22)13-6-16-10-23-13/h3-6,10-12H,7-9H2,1-2H3,(H,19,22)/t11-,12-/m1/s1
InChIKeyYSLVIFDBLSESFH-VXGBXAGGSA-N
XLogP0.26
TPSA87.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.37
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-4-[(dimethylamino)methyl]-1-pyrimidin-2-ylpyrrolidin-3-yl]-1,3-oxazole-5-carboxamide?
The IUPAC name of N-[(3S,4R)-4-[(dimethylamino)methyl]-1-pyrimidin-2-ylpyrrolidin-3-yl]-1,3-oxazole-5-carboxamide (CID 91911102) is N-[(3S,4R)-4-[(dimethylamino)methyl]-1-pyrimidin-2-ylpyrrolidin-3-yl]-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-[(3S,4R)-4-[(dimethylamino)methyl]-1-pyrimidin-2-ylpyrrolidin-3-yl]-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-[(3S,4R)-4-[(dimethylamino)methyl]-1-pyrimidin-2-ylpyrrolidin-3-yl]-1,3-oxazole-5-carboxamide is CN(C)C[C@@H]1CN(c2ncccn2)C[C@H]1NC(=O)c1cnco1.
What is the InChIKey of N-[(3S,4R)-4-[(dimethylamino)methyl]-1-pyrimidin-2-ylpyrrolidin-3-yl]-1,3-oxazole-5-carboxamide?
The InChIKey is YSLVIFDBLSESFH-VXGBXAGGSA-N. The full InChI is InChI=1S/C15H20N6O2/c1-20(2)7-11-8-21(15-17-4-3-5-18-15)9-12(11)19-14(22)13-6-16-10-23-13/h3-6,10-12H,7-9H2,1-2H3,(H,19,22)/t11-,12-/m1/s1.
What are the key properties of N-[(3S,4R)-4-[(dimethylamino)methyl]-1-pyrimidin-2-ylpyrrolidin-3-yl]-1,3-oxazole-5-carboxamide?
N-[(3S,4R)-4-[(dimethylamino)methyl]-1-pyrimidin-2-ylpyrrolidin-3-yl]-1,3-oxazole-5-carboxamide has a molecular weight of 316.37 g/mol, XLogP of 0.26, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-4-[(dimethylamino)methyl]-1-pyrimidin-2-ylpyrrolidin-3-yl]-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 91911102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).