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

C15H18FN5O2 — CID 128994133

IUPACN-[[(2S,4S)-4-fluoro-1-pyrimidin-4-ylpyrrolidin-2-yl]methyl]-N,5-dimethyl-1,3-oxazole-4-carboxamide
SMILESCc1ocnc1C(=O)N(C)C[C@@H]1C[C@H](F)CN1c1ccncn1
InChIInChI=1S/C15H18FN5O2/c1-10-14(19-9-23-10)15(22)20(2)7-12-5-11(16)6-21(12)13-3-4-17-8-18-13/h3-4,8-9,11-12H,5-7H2,1-2H3/t11-,12-/m0/s1
InChIKeyQLIIQOWWOPAQED-RYUDHWBXSA-N
MW319.34 g/mol
LogP1.46
Rot. Bonds4

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

N-[[(2S,4S)-4-fluoro-1-pyrimidin-4-ylpyrrolidin-2-yl]methyl]-N,5-dimethyl-1,3-oxazole-4-carboxamide (PubChem CID 128994133) 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,5-dimethyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[[(2S,4S)-4-fluoro-1-pyrimidin-4-ylpyrrolidin-2-yl]methyl]-N,5-dimethyl-1,3-oxazole-4-carboxamide
PubChem CID128994133
Molecular FormulaC15H18FN5O2
Molecular Weight319.34 g/mol
Exact Mass319.14
IUPAC NameN-[[(2S,4S)-4-fluoro-1-pyrimidin-4-ylpyrrolidin-2-yl]methyl]-N,5-dimethyl-1,3-oxazole-4-carboxamide
SMILESCc1ocnc1C(=O)N(C)C[C@@H]1C[C@H](F)CN1c1ccncn1
InChIInChI=1S/C15H18FN5O2/c1-10-14(19-9-23-10)15(22)20(2)7-12-5-11(16)6-21(12)13-3-4-17-8-18-13/h3-4,8-9,11-12H,5-7H2,1-2H3/t11-,12-/m0/s1
InChIKeyQLIIQOWWOPAQED-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,5-dimethyl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[[(2S,4S)-4-fluoro-1-pyrimidin-4-ylpyrrolidin-2-yl]methyl]-N,5-dimethyl-1,3-oxazole-4-carboxamide (CID 128994133) is N-[[(2S,4S)-4-fluoro-1-pyrimidin-4-ylpyrrolidin-2-yl]methyl]-N,5-dimethyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[[(2S,4S)-4-fluoro-1-pyrimidin-4-ylpyrrolidin-2-yl]methyl]-N,5-dimethyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[[(2S,4S)-4-fluoro-1-pyrimidin-4-ylpyrrolidin-2-yl]methyl]-N,5-dimethyl-1,3-oxazole-4-carboxamide is Cc1ocnc1C(=O)N(C)C[C@@H]1C[C@H](F)CN1c1ccncn1.
What is the InChIKey of N-[[(2S,4S)-4-fluoro-1-pyrimidin-4-ylpyrrolidin-2-yl]methyl]-N,5-dimethyl-1,3-oxazole-4-carboxamide?
The InChIKey is QLIIQOWWOPAQED-RYUDHWBXSA-N. The full InChI is InChI=1S/C15H18FN5O2/c1-10-14(19-9-23-10)15(22)20(2)7-12-5-11(16)6-21(12)13-3-4-17-8-18-13/h3-4,8-9,11-12H,5-7H2,1-2H3/t11-,12-/m0/s1.
What are the key properties of N-[[(2S,4S)-4-fluoro-1-pyrimidin-4-ylpyrrolidin-2-yl]methyl]-N,5-dimethyl-1,3-oxazole-4-carboxamide?
N-[[(2S,4S)-4-fluoro-1-pyrimidin-4-ylpyrrolidin-2-yl]methyl]-N,5-dimethyl-1,3-oxazole-4-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,5-dimethyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 128994133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).