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

C15H18FN5O2 — CID 128974750

IUPACN-[[(2S,4S)-4-fluoro-1-pyrimidin-4-ylpyrrolidin-2-yl]methyl]-N,3-dimethyl-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)N(C)C[C@@H]2C[C@H](F)CN2c2ccncn2)on1
InChIInChI=1S/C15H18FN5O2/c1-10-5-13(23-19-10)15(22)20(2)8-12-6-11(16)7-21(12)14-3-4-17-9-18-14/h3-5,9,11-12H,6-8H2,1-2H3/t11-,12-/m0/s1
InChIKeyISTNYGKHXXVLMD-RYUDHWBXSA-N
MW319.34 g/mol
LogP1.46
Rot. Bonds4

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

N-[[(2S,4S)-4-fluoro-1-pyrimidin-4-ylpyrrolidin-2-yl]methyl]-N,3-dimethyl-1,2-oxazole-5-carboxamide (PubChem CID 128974750) has the molecular formula C15H18FN5O2 and a molecular weight of 319.34 g/mol. Its IUPAC name is N-[[(2S,4S)-4-fluoro-1-pyrimidin-4-ylpyrrolidin-2-yl]methyl]-N,3-dimethyl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[[(2S,4S)-4-fluoro-1-pyrimidin-4-ylpyrrolidin-2-yl]methyl]-N,3-dimethyl-1,2-oxazole-5-carboxamide
PubChem CID128974750
Molecular FormulaC15H18FN5O2
Molecular Weight319.34 g/mol
Exact Mass319.14
IUPAC NameN-[[(2S,4S)-4-fluoro-1-pyrimidin-4-ylpyrrolidin-2-yl]methyl]-N,3-dimethyl-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)N(C)C[C@@H]2C[C@H](F)CN2c2ccncn2)on1
InChIInChI=1S/C15H18FN5O2/c1-10-5-13(23-19-10)15(22)20(2)8-12-6-11(16)7-21(12)14-3-4-17-9-18-14/h3-5,9,11-12H,6-8H2,1-2H3/t11-,12-/m0/s1
InChIKeyISTNYGKHXXVLMD-RYUDHWBXSA-N
XLogP1.46
TPSA75.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.34
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[(2S,4S)-4-fluoro-1-pyrimidin-4-ylpyrrolidin-2-yl]methyl]-N,3-dimethyl-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[[(2S,4S)-4-fluoro-1-pyrimidin-4-ylpyrrolidin-2-yl]methyl]-N,3-dimethyl-1,2-oxazole-5-carboxamide (CID 128974750) is N-[[(2S,4S)-4-fluoro-1-pyrimidin-4-ylpyrrolidin-2-yl]methyl]-N,3-dimethyl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[[(2S,4S)-4-fluoro-1-pyrimidin-4-ylpyrrolidin-2-yl]methyl]-N,3-dimethyl-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[[(2S,4S)-4-fluoro-1-pyrimidin-4-ylpyrrolidin-2-yl]methyl]-N,3-dimethyl-1,2-oxazole-5-carboxamide is Cc1cc(C(=O)N(C)C[C@@H]2C[C@H](F)CN2c2ccncn2)on1.
What is the InChIKey of N-[[(2S,4S)-4-fluoro-1-pyrimidin-4-ylpyrrolidin-2-yl]methyl]-N,3-dimethyl-1,2-oxazole-5-carboxamide?
The InChIKey is ISTNYGKHXXVLMD-RYUDHWBXSA-N. The full InChI is InChI=1S/C15H18FN5O2/c1-10-5-13(23-19-10)15(22)20(2)8-12-6-11(16)7-21(12)14-3-4-17-9-18-14/h3-5,9,11-12H,6-8H2,1-2H3/t11-,12-/m0/s1.
What are the key properties of N-[[(2S,4S)-4-fluoro-1-pyrimidin-4-ylpyrrolidin-2-yl]methyl]-N,3-dimethyl-1,2-oxazole-5-carboxamide?
N-[[(2S,4S)-4-fluoro-1-pyrimidin-4-ylpyrrolidin-2-yl]methyl]-N,3-dimethyl-1,2-oxazole-5-carboxamide has a molecular weight of 319.34 g/mol, XLogP of 1.46, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S,4S)-4-fluoro-1-pyrimidin-4-ylpyrrolidin-2-yl]methyl]-N,3-dimethyl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 128974750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).