N-ethyl-5-fluoro-N-[(2S)-1-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]propan-2-yl]-2-pyrimidin-2-ylbenzamide

C24H21F2N5O2 — CID 72700265

IUPACN-ethyl-5-fluoro-N-[(2S)-1-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]propan-2-yl]-2-pyrimidin-2-ylbenzamide
SMILESCCN(C(=O)c1cc(F)ccc1-c1ncccn1)[C@@H](C)Cc1noc(-c2ccc(F)cc2)n1
InChIInChI=1S/C24H21F2N5O2/c1-3-31(15(2)13-21-29-23(33-30-21)16-5-7-17(25)8-6-16)24(32)20-14-18(26)9-10-19(20)22-27-11-4-12-28-22/h4-12,14-15H,3,13H2,1-2H3/t15-/m0/s1
InChIKeySVSUWORSBYUYII-HNNXBMFYSA-N
MW449.46 g/mol
LogP4.57
Rot. Bonds7

About N-ethyl-5-fluoro-N-[(2S)-1-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]propan-2-yl]-2-pyrimidin-2-ylbenzamide

N-ethyl-5-fluoro-N-[(2S)-1-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]propan-2-yl]-2-pyrimidin-2-ylbenzamide (PubChem CID 72700265) has the molecular formula C24H21F2N5O2 and a molecular weight of 449.46 g/mol. Its IUPAC name is N-ethyl-5-fluoro-N-[(2S)-1-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]propan-2-yl]-2-pyrimidin-2-ylbenzamide.

Molecular Properties

Compound NameN-ethyl-5-fluoro-N-[(2S)-1-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]propan-2-yl]-2-pyrimidin-2-ylbenzamide
PubChem CID72700265
Molecular FormulaC24H21F2N5O2
Molecular Weight449.46 g/mol
Exact Mass449.17
IUPAC NameN-ethyl-5-fluoro-N-[(2S)-1-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]propan-2-yl]-2-pyrimidin-2-ylbenzamide
SMILESCCN(C(=O)c1cc(F)ccc1-c1ncccn1)[C@@H](C)Cc1noc(-c2ccc(F)cc2)n1
InChIInChI=1S/C24H21F2N5O2/c1-3-31(15(2)13-21-29-23(33-30-21)16-5-7-17(25)8-6-16)24(32)20-14-18(26)9-10-19(20)22-27-11-4-12-28-22/h4-12,14-15H,3,13H2,1-2H3/t15-/m0/s1
InChIKeySVSUWORSBYUYII-HNNXBMFYSA-N
XLogP4.57
TPSA85.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.46
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-ethyl-5-fluoro-N-[(2S)-1-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]propan-2-yl]-2-pyrimidin-2-ylbenzamide 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-ethyl-5-fluoro-N-[(2S)-1-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]propan-2-yl]-2-pyrimidin-2-ylbenzamide?
The IUPAC name of N-ethyl-5-fluoro-N-[(2S)-1-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]propan-2-yl]-2-pyrimidin-2-ylbenzamide (CID 72700265) is N-ethyl-5-fluoro-N-[(2S)-1-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]propan-2-yl]-2-pyrimidin-2-ylbenzamide.
What is the SMILES notation for N-ethyl-5-fluoro-N-[(2S)-1-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]propan-2-yl]-2-pyrimidin-2-ylbenzamide?
The canonical SMILES for N-ethyl-5-fluoro-N-[(2S)-1-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]propan-2-yl]-2-pyrimidin-2-ylbenzamide is CCN(C(=O)c1cc(F)ccc1-c1ncccn1)[C@@H](C)Cc1noc(-c2ccc(F)cc2)n1.
What is the InChIKey of N-ethyl-5-fluoro-N-[(2S)-1-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]propan-2-yl]-2-pyrimidin-2-ylbenzamide?
The InChIKey is SVSUWORSBYUYII-HNNXBMFYSA-N. The full InChI is InChI=1S/C24H21F2N5O2/c1-3-31(15(2)13-21-29-23(33-30-21)16-5-7-17(25)8-6-16)24(32)20-14-18(26)9-10-19(20)22-27-11-4-12-28-22/h4-12,14-15H,3,13H2,1-2H3/t15-/m0/s1.
What are the key properties of N-ethyl-5-fluoro-N-[(2S)-1-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]propan-2-yl]-2-pyrimidin-2-ylbenzamide?
N-ethyl-5-fluoro-N-[(2S)-1-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]propan-2-yl]-2-pyrimidin-2-ylbenzamide has a molecular weight of 449.46 g/mol, XLogP of 4.57, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-fluoro-N-[(2S)-1-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]propan-2-yl]-2-pyrimidin-2-ylbenzamide is sourced from PubChem (CID 72700265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).