N-[[(2S,4S)-1-(2-amino-2-oxoethyl)-4-fluoropyrrolidin-2-yl]methyl]-1,2-oxazole-3-carboxamide

C11H15FN4O3 — CID 128967627

IUPACN-[[(2S,4S)-1-(2-amino-2-oxoethyl)-4-fluoropyrrolidin-2-yl]methyl]-1,2-oxazole-3-carboxamide
SMILESNC(=O)CN1C[C@@H](F)C[C@H]1CNC(=O)c1ccon1
InChIInChI=1S/C11H15FN4O3/c12-7-3-8(16(5-7)6-10(13)17)4-14-11(18)9-1-2-19-15-9/h1-2,7-8H,3-6H2,(H2,13,17)(H,14,18)/t7-,8-/m0/s1
InChIKeyRWBMSUMRRPTBMV-YUMQZZPRSA-N
MW270.26 g/mol
LogP-0.70
Rot. Bonds5

About N-[[(2S,4S)-1-(2-amino-2-oxoethyl)-4-fluoropyrrolidin-2-yl]methyl]-1,2-oxazole-3-carboxamide

N-[[(2S,4S)-1-(2-amino-2-oxoethyl)-4-fluoropyrrolidin-2-yl]methyl]-1,2-oxazole-3-carboxamide (PubChem CID 128967627) has the molecular formula C11H15FN4O3 and a molecular weight of 270.26 g/mol. Its IUPAC name is N-[[(2S,4S)-1-(2-amino-2-oxoethyl)-4-fluoropyrrolidin-2-yl]methyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[[(2S,4S)-1-(2-amino-2-oxoethyl)-4-fluoropyrrolidin-2-yl]methyl]-1,2-oxazole-3-carboxamide
PubChem CID128967627
Molecular FormulaC11H15FN4O3
Molecular Weight270.26 g/mol
Exact Mass270.11
IUPAC NameN-[[(2S,4S)-1-(2-amino-2-oxoethyl)-4-fluoropyrrolidin-2-yl]methyl]-1,2-oxazole-3-carboxamide
SMILESNC(=O)CN1C[C@@H](F)C[C@H]1CNC(=O)c1ccon1
InChIInChI=1S/C11H15FN4O3/c12-7-3-8(16(5-7)6-10(13)17)4-14-11(18)9-1-2-19-15-9/h1-2,7-8H,3-6H2,(H2,13,17)(H,14,18)/t7-,8-/m0/s1
InChIKeyRWBMSUMRRPTBMV-YUMQZZPRSA-N
XLogP-0.70
TPSA101.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.26
LogP ≤ 5-0.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[(2S,4S)-1-(2-amino-2-oxoethyl)-4-fluoropyrrolidin-2-yl]methyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[[(2S,4S)-1-(2-amino-2-oxoethyl)-4-fluoropyrrolidin-2-yl]methyl]-1,2-oxazole-3-carboxamide (CID 128967627) is N-[[(2S,4S)-1-(2-amino-2-oxoethyl)-4-fluoropyrrolidin-2-yl]methyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[[(2S,4S)-1-(2-amino-2-oxoethyl)-4-fluoropyrrolidin-2-yl]methyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[[(2S,4S)-1-(2-amino-2-oxoethyl)-4-fluoropyrrolidin-2-yl]methyl]-1,2-oxazole-3-carboxamide is NC(=O)CN1C[C@@H](F)C[C@H]1CNC(=O)c1ccon1.
What is the InChIKey of N-[[(2S,4S)-1-(2-amino-2-oxoethyl)-4-fluoropyrrolidin-2-yl]methyl]-1,2-oxazole-3-carboxamide?
The InChIKey is RWBMSUMRRPTBMV-YUMQZZPRSA-N. The full InChI is InChI=1S/C11H15FN4O3/c12-7-3-8(16(5-7)6-10(13)17)4-14-11(18)9-1-2-19-15-9/h1-2,7-8H,3-6H2,(H2,13,17)(H,14,18)/t7-,8-/m0/s1.
What are the key properties of N-[[(2S,4S)-1-(2-amino-2-oxoethyl)-4-fluoropyrrolidin-2-yl]methyl]-1,2-oxazole-3-carboxamide?
N-[[(2S,4S)-1-(2-amino-2-oxoethyl)-4-fluoropyrrolidin-2-yl]methyl]-1,2-oxazole-3-carboxamide has a molecular weight of 270.26 g/mol, XLogP of -0.70, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S,4S)-1-(2-amino-2-oxoethyl)-4-fluoropyrrolidin-2-yl]methyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 128967627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).