2-fluoro-N-[2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrol-1-yl]ethyl]benzamide

C21H17FN4O2 — CID 91888381

IUPAC2-fluoro-N-[2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrol-1-yl]ethyl]benzamide
SMILESO=C(NCCn1cccc1-c1nc(-c2ccccc2)no1)c1ccccc1F
InChIInChI=1S/C21H17FN4O2/c22-17-10-5-4-9-16(17)20(27)23-12-14-26-13-6-11-18(26)21-24-19(25-28-21)15-7-2-1-3-8-15/h1-11,13H,12,14H2,(H,23,27)
InChIKeyCDKSVQFQUOPPJW-UHFFFAOYSA-N
MW376.39 g/mol
LogP3.77
Rot. Bonds6

About 2-fluoro-N-[2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrol-1-yl]ethyl]benzamide

2-fluoro-N-[2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrol-1-yl]ethyl]benzamide (PubChem CID 91888381) has the molecular formula C21H17FN4O2 and a molecular weight of 376.39 g/mol. Its IUPAC name is 2-fluoro-N-[2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrol-1-yl]ethyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrol-1-yl]ethyl]benzamide
PubChem CID91888381
Molecular FormulaC21H17FN4O2
Molecular Weight376.39 g/mol
Exact Mass376.13
IUPAC Name2-fluoro-N-[2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrol-1-yl]ethyl]benzamide
SMILESO=C(NCCn1cccc1-c1nc(-c2ccccc2)no1)c1ccccc1F
InChIInChI=1S/C21H17FN4O2/c22-17-10-5-4-9-16(17)20(27)23-12-14-26-13-6-11-18(26)21-24-19(25-28-21)15-7-2-1-3-8-15/h1-11,13H,12,14H2,(H,23,27)
InChIKeyCDKSVQFQUOPPJW-UHFFFAOYSA-N
XLogP3.77
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.39
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[2-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]ethyl]-2-chlorobenzamide
CID 91888391
2-[2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]-N-(2-fluorophenyl)acetamide
CID 50925960
2-fluoro-N-[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide
CID 39867075
2-fluoro-N-[2-[4-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)triazol-1-yl]ethyl]benzamide
CID 91813258
2-[2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrol-1-yl]acetic acid
CID 94069111
N-[(4-methoxyphenyl)methyl]-2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrol-1-yl]acetamide
CID 75527010
N-(2-ethylphenyl)-2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrol-1-yl]acetamide
CID 75526974
2-fluoro-N-[2-(4-phenylpyrazol-1-yl)ethyl]benzamide
CID 121020133
2,3,4-trifluoro-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 110323311
N-[4-ethyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]-2-fluorobenzamide
CID 50755399
2-fluoro-N-[2-(1-methylpyrrol-2-yl)ethyl]benzamide
CID 21234303
N-[(3-methoxyphenyl)methyl]-2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrol-1-yl]acetamide
CID 75527011

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrol-1-yl]ethyl]benzamide?
The IUPAC name of 2-fluoro-N-[2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrol-1-yl]ethyl]benzamide (CID 91888381) is 2-fluoro-N-[2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrol-1-yl]ethyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrol-1-yl]ethyl]benzamide?
The canonical SMILES for 2-fluoro-N-[2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrol-1-yl]ethyl]benzamide is O=C(NCCn1cccc1-c1nc(-c2ccccc2)no1)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-[2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrol-1-yl]ethyl]benzamide?
The InChIKey is CDKSVQFQUOPPJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN4O2/c22-17-10-5-4-9-16(17)20(27)23-12-14-26-13-6-11-18(26)21-24-19(25-28-21)15-7-2-1-3-8-15/h1-11,13H,12,14H2,(H,23,27).
What are the key properties of 2-fluoro-N-[2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrol-1-yl]ethyl]benzamide?
2-fluoro-N-[2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrol-1-yl]ethyl]benzamide has a molecular weight of 376.39 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrol-1-yl]ethyl]benzamide is sourced from PubChem (CID 91888381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).