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

C21H23FN4O3 — CID 75527036

IUPACN-cyclohexyl-2-[2-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]acetamide
SMILESCOc1ccc(-c2noc(-c3cccn3CC(=O)NC3CCCCC3)n2)cc1F
InChIInChI=1S/C21H23FN4O3/c1-28-18-10-9-14(12-16(18)22)20-24-21(29-25-20)17-8-5-11-26(17)13-19(27)23-15-6-3-2-4-7-15/h5,8-12,15H,2-4,6-7,13H2,1H3,(H,23,27)
InChIKeyQIVABZAYBGUTLG-UHFFFAOYSA-N
MW398.44 g/mol
LogP3.80
Rot. Bonds6

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

N-cyclohexyl-2-[2-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]acetamide (PubChem CID 75527036) has the molecular formula C21H23FN4O3 and a molecular weight of 398.44 g/mol. Its IUPAC name is N-cyclohexyl-2-[2-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[2-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]acetamide
PubChem CID75527036
Molecular FormulaC21H23FN4O3
Molecular Weight398.44 g/mol
Exact Mass398.18
IUPAC NameN-cyclohexyl-2-[2-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]acetamide
SMILESCOc1ccc(-c2noc(-c3cccn3CC(=O)NC3CCCCC3)n2)cc1F
InChIInChI=1S/C21H23FN4O3/c1-28-18-10-9-14(12-16(18)22)20-24-21(29-25-20)17-8-5-11-26(17)13-19(27)23-15-6-3-2-4-7-15/h5,8-12,15H,2-4,6-7,13H2,1H3,(H,23,27)
InChIKeyQIVABZAYBGUTLG-UHFFFAOYSA-N
XLogP3.80
TPSA82.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.44
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[2-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]acetamide?
The IUPAC name of N-cyclohexyl-2-[2-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]acetamide (CID 75527036) is N-cyclohexyl-2-[2-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]acetamide.
What is the SMILES notation for N-cyclohexyl-2-[2-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]acetamide?
The canonical SMILES for N-cyclohexyl-2-[2-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]acetamide is COc1ccc(-c2noc(-c3cccn3CC(=O)NC3CCCCC3)n2)cc1F.
What is the InChIKey of N-cyclohexyl-2-[2-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]acetamide?
The InChIKey is QIVABZAYBGUTLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4O3/c1-28-18-10-9-14(12-16(18)22)20-24-21(29-25-20)17-8-5-11-26(17)13-19(27)23-15-6-3-2-4-7-15/h5,8-12,15H,2-4,6-7,13H2,1H3,(H,23,27).
What are the key properties of N-cyclohexyl-2-[2-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]acetamide?
N-cyclohexyl-2-[2-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]acetamide has a molecular weight of 398.44 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[2-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]acetamide is sourced from PubChem (CID 75527036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).