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

C15H20N6O2 — CID 91923172

IUPACN-[(3S,4R)-4-[(dimethylamino)methyl]-1-pyrimidin-4-ylpyrrolidin-3-yl]-1,3-oxazole-5-carboxamide
SMILESCN(C)C[C@@H]1CN(c2ccncn2)C[C@H]1NC(=O)c1cnco1
InChIInChI=1S/C15H20N6O2/c1-20(2)6-11-7-21(14-3-4-16-9-18-14)8-12(11)19-15(22)13-5-17-10-23-13/h3-5,9-12H,6-8H2,1-2H3,(H,19,22)/t11-,12-/m1/s1
InChIKeyUOUOYIAFGPNSQX-VXGBXAGGSA-N
MW316.37 g/mol
LogP0.26
Rot. Bonds5

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

N-[(3S,4R)-4-[(dimethylamino)methyl]-1-pyrimidin-4-ylpyrrolidin-3-yl]-1,3-oxazole-5-carboxamide (PubChem CID 91923172) 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-4-ylpyrrolidin-3-yl]-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[(3S,4R)-4-[(dimethylamino)methyl]-1-pyrimidin-4-ylpyrrolidin-3-yl]-1,3-oxazole-5-carboxamide
PubChem CID91923172
Molecular FormulaC15H20N6O2
Molecular Weight316.37 g/mol
Exact Mass316.16
IUPAC NameN-[(3S,4R)-4-[(dimethylamino)methyl]-1-pyrimidin-4-ylpyrrolidin-3-yl]-1,3-oxazole-5-carboxamide
SMILESCN(C)C[C@@H]1CN(c2ccncn2)C[C@H]1NC(=O)c1cnco1
InChIInChI=1S/C15H20N6O2/c1-20(2)6-11-7-21(14-3-4-16-9-18-14)8-12(11)19-15(22)13-5-17-10-23-13/h3-5,9-12H,6-8H2,1-2H3,(H,19,22)/t11-,12-/m1/s1
InChIKeyUOUOYIAFGPNSQX-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

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Related Compounds

N-[(3S,4R)-4-[(dimethylamino)methyl]-1-(2-pyrimidinyl)tetrahydro-1H-pyrrol-3-yl]-1,3-oxazole-5-carboxamide
CID 91911102
N-[3-(2-isopropyl-1H-imidazol-1-yl)propyl]-1,3-oxazole-5-carboxamide
CID 91779649
2-N,2-N-dimethyl-4-N-[(1S)-1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyrimidine-2,4-diamine
CID 164631259
N-[[(2S,4S)-1-[2-(dimethylamino)pyrimidin-4-yl]-4-fluoropyrrolidin-2-yl]methyl]-4-methyl-1,3-oxazole-5-carboxamide
CID 128183851
N-(2-methylpyrimidin-4-yl)-1,3-oxazole-5-carboxamide
CID 91803234
N-[1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]-1,3-oxazole-5-carboxamide
CID 172819575
1-{6-[(2-Hydroxyethyl)amino]pyrimidin-4-yl}-4-(1,3-oxazol-5-ylcarbonyl)-1,4-diazepan-6-ol
CID 74231739
N-[(3S,4R)-4-[(dimethylamino)methyl]-1-(4-pyrimidinyl)tetrahydro-1H-pyrrol-3-yl]-4-methyl-1,3-oxazole-5-carboxamide
CID 91922865
[(6R)-6-hydroxy-4-[6-(2-hydroxyethylamino)pyrimidin-4-yl]-1,4-diazepan-1-yl]-(1,3-oxazol-5-yl)methanone
CID 97860245
[(6S)-6-hydroxy-4-[6-(2-hydroxyethylamino)pyrimidin-4-yl]-1,4-diazepan-1-yl]-(1,3-oxazol-5-yl)methanone
CID 97860246
4-Methyl-2-[1-(1,3-oxazole-5-carbonyl)pyrrolidin-3-YL]pyrimidine
CID 110103694
Dimethyl({2-[1-(1,3-oxazole-5-carbonyl)pyrrolidin-2-YL]pyrimidin-4-YL}methyl)amine
CID 110117140

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-4-[(dimethylamino)methyl]-1-pyrimidin-4-ylpyrrolidin-3-yl]-1,3-oxazole-5-carboxamide?
The IUPAC name of N-[(3S,4R)-4-[(dimethylamino)methyl]-1-pyrimidin-4-ylpyrrolidin-3-yl]-1,3-oxazole-5-carboxamide (CID 91923172) is N-[(3S,4R)-4-[(dimethylamino)methyl]-1-pyrimidin-4-ylpyrrolidin-3-yl]-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-[(3S,4R)-4-[(dimethylamino)methyl]-1-pyrimidin-4-ylpyrrolidin-3-yl]-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-[(3S,4R)-4-[(dimethylamino)methyl]-1-pyrimidin-4-ylpyrrolidin-3-yl]-1,3-oxazole-5-carboxamide is CN(C)C[C@@H]1CN(c2ccncn2)C[C@H]1NC(=O)c1cnco1.
What is the InChIKey of N-[(3S,4R)-4-[(dimethylamino)methyl]-1-pyrimidin-4-ylpyrrolidin-3-yl]-1,3-oxazole-5-carboxamide?
The InChIKey is UOUOYIAFGPNSQX-VXGBXAGGSA-N. The full InChI is InChI=1S/C15H20N6O2/c1-20(2)6-11-7-21(14-3-4-16-9-18-14)8-12(11)19-15(22)13-5-17-10-23-13/h3-5,9-12H,6-8H2,1-2H3,(H,19,22)/t11-,12-/m1/s1.
What are the key properties of N-[(3S,4R)-4-[(dimethylamino)methyl]-1-pyrimidin-4-ylpyrrolidin-3-yl]-1,3-oxazole-5-carboxamide?
N-[(3S,4R)-4-[(dimethylamino)methyl]-1-pyrimidin-4-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-4-ylpyrrolidin-3-yl]-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 91923172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).