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

C15H20FN5O2 — CID 128966784

IUPACN-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-5-methyl-1,3-oxazole-4-carboxamide
SMILESCc1ocnc1C(=O)NC[C@@H]1C[C@H](F)CN1Cc1ccnn1C
InChIInChI=1S/C15H20FN5O2/c1-10-14(18-9-23-10)15(22)17-6-13-5-11(16)7-21(13)8-12-3-4-19-20(12)2/h3-4,9,11,13H,5-8H2,1-2H3,(H,17,22)/t11-,13-/m0/s1
InChIKeyYNAGAQMYDZGDCP-AAEUAGOBSA-N
MW321.36 g/mol
LogP1.06
Rot. Bonds5

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

N-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-5-methyl-1,3-oxazole-4-carboxamide (PubChem CID 128966784) has the molecular formula C15H20FN5O2 and a molecular weight of 321.36 g/mol. Its IUPAC name is N-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-5-methyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-5-methyl-1,3-oxazole-4-carboxamide
PubChem CID128966784
Molecular FormulaC15H20FN5O2
Molecular Weight321.36 g/mol
Exact Mass321.16
IUPAC NameN-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-5-methyl-1,3-oxazole-4-carboxamide
SMILESCc1ocnc1C(=O)NC[C@@H]1C[C@H](F)CN1Cc1ccnn1C
InChIInChI=1S/C15H20FN5O2/c1-10-14(18-9-23-10)15(22)17-6-13-5-11(16)7-21(13)8-12-3-4-19-20(12)2/h3-4,9,11,13H,5-8H2,1-2H3,(H,17,22)/t11-,13-/m0/s1
InChIKeyYNAGAQMYDZGDCP-AAEUAGOBSA-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

Analyze N-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-5-methyl-1,3-oxazole-4-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-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-5-methyl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-5-methyl-1,3-oxazole-4-carboxamide (CID 128966784) is N-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-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-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-5-methyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-5-methyl-1,3-oxazole-4-carboxamide is Cc1ocnc1C(=O)NC[C@@H]1C[C@H](F)CN1Cc1ccnn1C.
What is the InChIKey of N-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-5-methyl-1,3-oxazole-4-carboxamide?
The InChIKey is YNAGAQMYDZGDCP-AAEUAGOBSA-N. The full InChI is InChI=1S/C15H20FN5O2/c1-10-14(18-9-23-10)15(22)17-6-13-5-11(16)7-21(13)8-12-3-4-19-20(12)2/h3-4,9,11,13H,5-8H2,1-2H3,(H,17,22)/t11-,13-/m0/s1.
What are the key properties of N-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-5-methyl-1,3-oxazole-4-carboxamide?
N-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-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-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-5-methyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 128966784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).