N-ethyl-5-fluoro-N-[(2S)-1-[5-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-3-yl]propan-2-yl]-2-(triazol-2-yl)benzamide

C21H19F2N7O2 — CID 72700366

IUPACN-ethyl-5-fluoro-N-[(2S)-1-[5-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-3-yl]propan-2-yl]-2-(triazol-2-yl)benzamide
SMILESCCN(C(=O)c1cc(F)ccc1-n1nccn1)[C@@H](C)Cc1noc(-c2ccc(F)cn2)n1
InChIInChI=1S/C21H19F2N7O2/c1-3-29(21(31)16-11-14(22)5-7-18(16)30-25-8-9-26-30)13(2)10-19-27-20(32-28-19)17-6-4-15(23)12-24-17/h4-9,11-13H,3,10H2,1-2H3/t13-/m0/s1
InChIKeyHCPNIIGCYVOXFN-ZDUSSCGKSA-N
MW439.43 g/mol
LogP3.08
Rot. Bonds7

About N-ethyl-5-fluoro-N-[(2S)-1-[5-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-3-yl]propan-2-yl]-2-(triazol-2-yl)benzamide

N-ethyl-5-fluoro-N-[(2S)-1-[5-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-3-yl]propan-2-yl]-2-(triazol-2-yl)benzamide (PubChem CID 72700366) has the molecular formula C21H19F2N7O2 and a molecular weight of 439.43 g/mol. Its IUPAC name is N-ethyl-5-fluoro-N-[(2S)-1-[5-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-3-yl]propan-2-yl]-2-(triazol-2-yl)benzamide.

Molecular Properties

Compound NameN-ethyl-5-fluoro-N-[(2S)-1-[5-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-3-yl]propan-2-yl]-2-(triazol-2-yl)benzamide
PubChem CID72700366
Molecular FormulaC21H19F2N7O2
Molecular Weight439.43 g/mol
Exact Mass439.16
IUPAC NameN-ethyl-5-fluoro-N-[(2S)-1-[5-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-3-yl]propan-2-yl]-2-(triazol-2-yl)benzamide
SMILESCCN(C(=O)c1cc(F)ccc1-n1nccn1)[C@@H](C)Cc1noc(-c2ccc(F)cn2)n1
InChIInChI=1S/C21H19F2N7O2/c1-3-29(21(31)16-11-14(22)5-7-18(16)30-25-8-9-26-30)13(2)10-19-27-20(32-28-19)17-6-4-15(23)12-24-17/h4-9,11-13H,3,10H2,1-2H3/t13-/m0/s1
InChIKeyHCPNIIGCYVOXFN-ZDUSSCGKSA-N
XLogP3.08
TPSA102.83 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.43
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze N-ethyl-5-fluoro-N-[(2S)-1-[5-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-3-yl]propan-2-yl]-2-(triazol-2-yl)benzamide with MolForge

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Related Compounds

5Pam523
CID 46946406
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CID 71007308
N-ethyl-N-[(2S)-1-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]propan-2-yl]-2-(triazol-2-yl)benzamide
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N-ethyl-N-[(2S)-1-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]propan-2-yl]-5-methyl-2-(triazol-2-yl)benzamide
CID 72699854
N-ethyl-N-[(2S)-1-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]propan-2-yl]-6-methyl-3-(triazol-2-yl)pyridine-2-carboxamide
CID 72699855
N-ethyl-5-fluoro-N-[(2S)-1-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]propan-2-yl]-2-(triazol-2-yl)benzamide
CID 72699949
N-ethyl-N-[(2S)-1-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]propan-2-yl]-6-methyl-3-pyrimidin-2-ylpyridine-2-carboxamide
CID 72700096
N-ethyl-N-[(2S)-1-[5-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-3-yl]propan-2-yl]-5-methyl-2-(triazol-2-yl)benzamide
CID 72700462
1-(3,4-difluorobenzoyl)-4-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)-1H-1,2,3-triazol-1-yl]piperidine
CID 91892062
[(2S)-2-[[5-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-3-yl]methyl]-1,3-oxazinan-3-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone
CID 156018304
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(4-Propylpiperazin-1-yl)-[6-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]-3-pyridinyl]methanone
CID 168288654

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-fluoro-N-[(2S)-1-[5-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-3-yl]propan-2-yl]-2-(triazol-2-yl)benzamide?
The IUPAC name of N-ethyl-5-fluoro-N-[(2S)-1-[5-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-3-yl]propan-2-yl]-2-(triazol-2-yl)benzamide (CID 72700366) is N-ethyl-5-fluoro-N-[(2S)-1-[5-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-3-yl]propan-2-yl]-2-(triazol-2-yl)benzamide.
What is the SMILES notation for N-ethyl-5-fluoro-N-[(2S)-1-[5-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-3-yl]propan-2-yl]-2-(triazol-2-yl)benzamide?
The canonical SMILES for N-ethyl-5-fluoro-N-[(2S)-1-[5-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-3-yl]propan-2-yl]-2-(triazol-2-yl)benzamide is CCN(C(=O)c1cc(F)ccc1-n1nccn1)[C@@H](C)Cc1noc(-c2ccc(F)cn2)n1.
What is the InChIKey of N-ethyl-5-fluoro-N-[(2S)-1-[5-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-3-yl]propan-2-yl]-2-(triazol-2-yl)benzamide?
The InChIKey is HCPNIIGCYVOXFN-ZDUSSCGKSA-N. The full InChI is InChI=1S/C21H19F2N7O2/c1-3-29(21(31)16-11-14(22)5-7-18(16)30-25-8-9-26-30)13(2)10-19-27-20(32-28-19)17-6-4-15(23)12-24-17/h4-9,11-13H,3,10H2,1-2H3/t13-/m0/s1.
What are the key properties of N-ethyl-5-fluoro-N-[(2S)-1-[5-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-3-yl]propan-2-yl]-2-(triazol-2-yl)benzamide?
N-ethyl-5-fluoro-N-[(2S)-1-[5-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-3-yl]propan-2-yl]-2-(triazol-2-yl)benzamide has a molecular weight of 439.43 g/mol, XLogP of 3.08, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-fluoro-N-[(2S)-1-[5-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-3-yl]propan-2-yl]-2-(triazol-2-yl)benzamide is sourced from PubChem (CID 72700366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).