N-[[(2S,4S)-4-fluoro-1-[(5-methyl-1,2-oxazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-2-(1H-pyrazol-5-yl)acetamide

C15H20FN5O2 — CID 154753653

IUPACN-[[(2S,4S)-4-fluoro-1-[(5-methyl-1,2-oxazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-2-(1H-pyrazol-5-yl)acetamide
SMILESCc1oncc1CN1C[C@@H](F)C[C@H]1CNC(=O)Cc1ccn[nH]1
InChIInChI=1S/C15H20FN5O2/c1-10-11(6-19-23-10)8-21-9-12(16)4-14(21)7-17-15(22)5-13-2-3-18-20-13/h2-3,6,12,14H,4-5,7-9H2,1H3,(H,17,22)(H,18,20)/t12-,14-/m0/s1
InChIKeyMYPBCSIEZWVGBW-JSGCOSHPSA-N
MW321.36 g/mol
LogP0.98
Rot. Bonds6

About N-[[(2S,4S)-4-fluoro-1-[(5-methyl-1,2-oxazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-2-(1H-pyrazol-5-yl)acetamide

N-[[(2S,4S)-4-fluoro-1-[(5-methyl-1,2-oxazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-2-(1H-pyrazol-5-yl)acetamide (PubChem CID 154753653) has the molecular formula C15H20FN5O2 and a molecular weight of 321.36 g/mol. Its IUPAC name is N-[[(2S,4S)-4-fluoro-1-[(5-methyl-1,2-oxazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-2-(1H-pyrazol-5-yl)acetamide.

Molecular Properties

Compound NameN-[[(2S,4S)-4-fluoro-1-[(5-methyl-1,2-oxazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-2-(1H-pyrazol-5-yl)acetamide
PubChem CID154753653
Molecular FormulaC15H20FN5O2
Molecular Weight321.36 g/mol
Exact Mass321.16
IUPAC NameN-[[(2S,4S)-4-fluoro-1-[(5-methyl-1,2-oxazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-2-(1H-pyrazol-5-yl)acetamide
SMILESCc1oncc1CN1C[C@@H](F)C[C@H]1CNC(=O)Cc1ccn[nH]1
InChIInChI=1S/C15H20FN5O2/c1-10-11(6-19-23-10)8-21-9-12(16)4-14(21)7-17-15(22)5-13-2-3-18-20-13/h2-3,6,12,14H,4-5,7-9H2,1H3,(H,17,22)(H,18,20)/t12-,14-/m0/s1
InChIKeyMYPBCSIEZWVGBW-JSGCOSHPSA-N
XLogP0.98
TPSA87.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.36
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[(2S,4S)-4-fluoro-1-[(5-methyl-1,2-oxazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-2-(1H-pyrazol-5-yl)acetamide?
The IUPAC name of N-[[(2S,4S)-4-fluoro-1-[(5-methyl-1,2-oxazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-2-(1H-pyrazol-5-yl)acetamide (CID 154753653) is N-[[(2S,4S)-4-fluoro-1-[(5-methyl-1,2-oxazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-2-(1H-pyrazol-5-yl)acetamide.
What is the SMILES notation for N-[[(2S,4S)-4-fluoro-1-[(5-methyl-1,2-oxazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-2-(1H-pyrazol-5-yl)acetamide?
The canonical SMILES for N-[[(2S,4S)-4-fluoro-1-[(5-methyl-1,2-oxazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-2-(1H-pyrazol-5-yl)acetamide is Cc1oncc1CN1C[C@@H](F)C[C@H]1CNC(=O)Cc1ccn[nH]1.
What is the InChIKey of N-[[(2S,4S)-4-fluoro-1-[(5-methyl-1,2-oxazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-2-(1H-pyrazol-5-yl)acetamide?
The InChIKey is MYPBCSIEZWVGBW-JSGCOSHPSA-N. The full InChI is InChI=1S/C15H20FN5O2/c1-10-11(6-19-23-10)8-21-9-12(16)4-14(21)7-17-15(22)5-13-2-3-18-20-13/h2-3,6,12,14H,4-5,7-9H2,1H3,(H,17,22)(H,18,20)/t12-,14-/m0/s1.
What are the key properties of N-[[(2S,4S)-4-fluoro-1-[(5-methyl-1,2-oxazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-2-(1H-pyrazol-5-yl)acetamide?
N-[[(2S,4S)-4-fluoro-1-[(5-methyl-1,2-oxazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-2-(1H-pyrazol-5-yl)acetamide has a molecular weight of 321.36 g/mol, XLogP of 0.98, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S,4S)-4-fluoro-1-[(5-methyl-1,2-oxazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-2-(1H-pyrazol-5-yl)acetamide is sourced from PubChem (CID 154753653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).