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

C15H20FN5O2 — CID 128966330

IUPACN-[[(2S,4S)-4-fluoro-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-5-methyl-1,3-oxazole-4-carboxamide
SMILESCc1ocnc1C(=O)NC[C@@H]1C[C@H](F)CN1Cc1cnn(C)c1
InChIInChI=1S/C15H20FN5O2/c1-10-14(18-9-23-10)15(22)17-5-13-3-12(16)8-21(13)7-11-4-19-20(2)6-11/h4,6,9,12-13H,3,5,7-8H2,1-2H3,(H,17,22)/t12-,13-/m0/s1
InChIKeyZVNATTJOAGHTOE-STQMWFEESA-N
MW321.36 g/mol
LogP1.06
Rot. Bonds5

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

N-[[(2S,4S)-4-fluoro-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-5-methyl-1,3-oxazole-4-carboxamide (PubChem CID 128966330) has the molecular formula C15H20FN5O2 and a molecular weight of 321.36 g/mol. Its IUPAC name is N-[[(2S,4S)-4-fluoro-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-5-methyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[[(2S,4S)-4-fluoro-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-5-methyl-1,3-oxazole-4-carboxamide
PubChem CID128966330
Molecular FormulaC15H20FN5O2
Molecular Weight321.36 g/mol
Exact Mass321.16
IUPAC NameN-[[(2S,4S)-4-fluoro-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-5-methyl-1,3-oxazole-4-carboxamide
SMILESCc1ocnc1C(=O)NC[C@@H]1C[C@H](F)CN1Cc1cnn(C)c1
InChIInChI=1S/C15H20FN5O2/c1-10-14(18-9-23-10)15(22)17-5-13-3-12(16)8-21(13)7-11-4-19-20(2)6-11/h4,6,9,12-13H,3,5,7-8H2,1-2H3,(H,17,22)/t12-,13-/m0/s1
InChIKeyZVNATTJOAGHTOE-STQMWFEESA-N
XLogP1.06
TPSA76.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.36
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[(2S,4S)-4-fluoro-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-5-methyl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[[(2S,4S)-4-fluoro-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-5-methyl-1,3-oxazole-4-carboxamide (CID 128966330) is N-[[(2S,4S)-4-fluoro-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-5-methyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[[(2S,4S)-4-fluoro-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-5-methyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[[(2S,4S)-4-fluoro-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-5-methyl-1,3-oxazole-4-carboxamide is Cc1ocnc1C(=O)NC[C@@H]1C[C@H](F)CN1Cc1cnn(C)c1.
What is the InChIKey of N-[[(2S,4S)-4-fluoro-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-5-methyl-1,3-oxazole-4-carboxamide?
The InChIKey is ZVNATTJOAGHTOE-STQMWFEESA-N. The full InChI is InChI=1S/C15H20FN5O2/c1-10-14(18-9-23-10)15(22)17-5-13-3-12(16)8-21(13)7-11-4-19-20(2)6-11/h4,6,9,12-13H,3,5,7-8H2,1-2H3,(H,17,22)/t12-,13-/m0/s1.
What are the key properties of N-[[(2S,4S)-4-fluoro-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-5-methyl-1,3-oxazole-4-carboxamide?
N-[[(2S,4S)-4-fluoro-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-5-methyl-1,3-oxazole-4-carboxamide has a molecular weight of 321.36 g/mol, XLogP of 1.06, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S,4S)-4-fluoro-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-5-methyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 128966330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).