N-butan-2-yl-2-[2-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]acetamide

C19H21FN4O3 — CID 75527052

IUPACN-butan-2-yl-2-[2-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]acetamide
SMILESCCC(C)NC(=O)Cn1cccc1-c1nc(-c2ccc(OC)c(F)c2)no1
InChIInChI=1S/C19H21FN4O3/c1-4-12(2)21-17(25)11-24-9-5-6-15(24)19-22-18(23-27-19)13-7-8-16(26-3)14(20)10-13/h5-10,12H,4,11H2,1-3H3,(H,21,25)
InChIKeyGKJWCXSNAUQFBG-UHFFFAOYSA-N
MW372.40 g/mol
LogP3.27
Rot. Bonds7

About N-butan-2-yl-2-[2-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]acetamide

N-butan-2-yl-2-[2-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]acetamide (PubChem CID 75527052) has the molecular formula C19H21FN4O3 and a molecular weight of 372.40 g/mol. Its IUPAC name is N-butan-2-yl-2-[2-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]acetamide.

Molecular Properties

Compound NameN-butan-2-yl-2-[2-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]acetamide
PubChem CID75527052
Molecular FormulaC19H21FN4O3
Molecular Weight372.40 g/mol
Exact Mass372.16
IUPAC NameN-butan-2-yl-2-[2-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]acetamide
SMILESCCC(C)NC(=O)Cn1cccc1-c1nc(-c2ccc(OC)c(F)c2)no1
InChIInChI=1S/C19H21FN4O3/c1-4-12(2)21-17(25)11-24-9-5-6-15(24)19-22-18(23-27-19)13-7-8-16(26-3)14(20)10-13/h5-10,12H,4,11H2,1-3H3,(H,21,25)
InChIKeyGKJWCXSNAUQFBG-UHFFFAOYSA-N
XLogP3.27
TPSA82.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.40
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-[2-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]acetamide?
The IUPAC name of N-butan-2-yl-2-[2-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]acetamide (CID 75527052) is N-butan-2-yl-2-[2-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]acetamide.
What is the SMILES notation for N-butan-2-yl-2-[2-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]acetamide?
The canonical SMILES for N-butan-2-yl-2-[2-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]acetamide is CCC(C)NC(=O)Cn1cccc1-c1nc(-c2ccc(OC)c(F)c2)no1.
What is the InChIKey of N-butan-2-yl-2-[2-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]acetamide?
The InChIKey is GKJWCXSNAUQFBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4O3/c1-4-12(2)21-17(25)11-24-9-5-6-15(24)19-22-18(23-27-19)13-7-8-16(26-3)14(20)10-13/h5-10,12H,4,11H2,1-3H3,(H,21,25).
What are the key properties of N-butan-2-yl-2-[2-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]acetamide?
N-butan-2-yl-2-[2-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]acetamide has a molecular weight of 372.40 g/mol, XLogP of 3.27, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-[2-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]acetamide is sourced from PubChem (CID 75527052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).