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

C15H18FN5O2 — CID 128969461

IUPACN-[[(2S,4S)-4-fluoro-1-(pyrimidin-5-ylmethyl)pyrrolidin-2-yl]methyl]-N-methyl-1,2-oxazole-3-carboxamide
SMILESCN(C[C@@H]1C[C@H](F)CN1Cc1cncnc1)C(=O)c1ccon1
InChIInChI=1S/C15H18FN5O2/c1-20(15(22)14-2-3-23-19-14)9-13-4-12(16)8-21(13)7-11-5-17-10-18-6-11/h2-3,5-6,10,12-13H,4,7-9H2,1H3/t12-,13-/m0/s1
InChIKeyQMSDHRCFZVAAIE-STQMWFEESA-N
MW319.34 g/mol
LogP1.15
Rot. Bonds5

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

N-[[(2S,4S)-4-fluoro-1-(pyrimidin-5-ylmethyl)pyrrolidin-2-yl]methyl]-N-methyl-1,2-oxazole-3-carboxamide (PubChem CID 128969461) 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-5-ylmethyl)pyrrolidin-2-yl]methyl]-N-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[[(2S,4S)-4-fluoro-1-(pyrimidin-5-ylmethyl)pyrrolidin-2-yl]methyl]-N-methyl-1,2-oxazole-3-carboxamide
PubChem CID128969461
Molecular FormulaC15H18FN5O2
Molecular Weight319.34 g/mol
Exact Mass319.14
IUPAC NameN-[[(2S,4S)-4-fluoro-1-(pyrimidin-5-ylmethyl)pyrrolidin-2-yl]methyl]-N-methyl-1,2-oxazole-3-carboxamide
SMILESCN(C[C@@H]1C[C@H](F)CN1Cc1cncnc1)C(=O)c1ccon1
InChIInChI=1S/C15H18FN5O2/c1-20(15(22)14-2-3-23-19-14)9-13-4-12(16)8-21(13)7-11-5-17-10-18-6-11/h2-3,5-6,10,12-13H,4,7-9H2,1H3/t12-,13-/m0/s1
InChIKeyQMSDHRCFZVAAIE-STQMWFEESA-N
XLogP1.15
TPSA75.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.34
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-[[(2S,4S)-4-fluoro-1-(pyrimidin-5-ylmethyl)pyrrolidin-2-yl]methyl]-N-methyl-1,2-oxazole-3-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-[[(2S,4S)-4-fluoro-1-(pyrimidin-5-ylmethyl)pyrrolidin-2-yl]methyl]-N-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[[(2S,4S)-4-fluoro-1-(pyrimidin-5-ylmethyl)pyrrolidin-2-yl]methyl]-N-methyl-1,2-oxazole-3-carboxamide (CID 128969461) is N-[[(2S,4S)-4-fluoro-1-(pyrimidin-5-ylmethyl)pyrrolidin-2-yl]methyl]-N-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[[(2S,4S)-4-fluoro-1-(pyrimidin-5-ylmethyl)pyrrolidin-2-yl]methyl]-N-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[[(2S,4S)-4-fluoro-1-(pyrimidin-5-ylmethyl)pyrrolidin-2-yl]methyl]-N-methyl-1,2-oxazole-3-carboxamide is CN(C[C@@H]1C[C@H](F)CN1Cc1cncnc1)C(=O)c1ccon1.
What is the InChIKey of N-[[(2S,4S)-4-fluoro-1-(pyrimidin-5-ylmethyl)pyrrolidin-2-yl]methyl]-N-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is QMSDHRCFZVAAIE-STQMWFEESA-N. The full InChI is InChI=1S/C15H18FN5O2/c1-20(15(22)14-2-3-23-19-14)9-13-4-12(16)8-21(13)7-11-5-17-10-18-6-11/h2-3,5-6,10,12-13H,4,7-9H2,1H3/t12-,13-/m0/s1.
What are the key properties of N-[[(2S,4S)-4-fluoro-1-(pyrimidin-5-ylmethyl)pyrrolidin-2-yl]methyl]-N-methyl-1,2-oxazole-3-carboxamide?
N-[[(2S,4S)-4-fluoro-1-(pyrimidin-5-ylmethyl)pyrrolidin-2-yl]methyl]-N-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 319.34 g/mol, XLogP of 1.15, 5 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-5-ylmethyl)pyrrolidin-2-yl]methyl]-N-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 128969461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).