N-(3-fluorophenyl)-2-[4-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]acetamide

C20H21FN4O2S — CID 8711231

IUPACN-(3-fluorophenyl)-2-[4-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(Cc2coc(-c3cccs3)n2)CC1)Nc1cccc(F)c1
InChIInChI=1S/C20H21FN4O2S/c21-15-3-1-4-16(11-15)22-19(26)13-25-8-6-24(7-9-25)12-17-14-27-20(23-17)18-5-2-10-28-18/h1-5,10-11,14H,6-9,12-13H2,(H,22,26)
InChIKeyFTVBTLWKIDPXCM-UHFFFAOYSA-N
MW400.48 g/mol
LogP3.30
Rot. Bonds6

About N-(3-fluorophenyl)-2-[4-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]acetamide

N-(3-fluorophenyl)-2-[4-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]acetamide (PubChem CID 8711231) has the molecular formula C20H21FN4O2S and a molecular weight of 400.48 g/mol. Its IUPAC name is N-(3-fluorophenyl)-2-[4-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-2-[4-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]acetamide
PubChem CID8711231
Molecular FormulaC20H21FN4O2S
Molecular Weight400.48 g/mol
Exact Mass400.14
IUPAC NameN-(3-fluorophenyl)-2-[4-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(Cc2coc(-c3cccs3)n2)CC1)Nc1cccc(F)c1
InChIInChI=1S/C20H21FN4O2S/c21-15-3-1-4-16(11-15)22-19(26)13-25-8-6-24(7-9-25)12-17-14-27-20(23-17)18-5-2-10-28-18/h1-5,10-11,14H,6-9,12-13H2,(H,22,26)
InChIKeyFTVBTLWKIDPXCM-UHFFFAOYSA-N
XLogP3.30
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-2-[4-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]acetamide?
The IUPAC name of N-(3-fluorophenyl)-2-[4-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]acetamide (CID 8711231) is N-(3-fluorophenyl)-2-[4-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(3-fluorophenyl)-2-[4-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(3-fluorophenyl)-2-[4-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]acetamide is O=C(CN1CCN(Cc2coc(-c3cccs3)n2)CC1)Nc1cccc(F)c1.
What is the InChIKey of N-(3-fluorophenyl)-2-[4-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]acetamide?
The InChIKey is FTVBTLWKIDPXCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O2S/c21-15-3-1-4-16(11-15)22-19(26)13-25-8-6-24(7-9-25)12-17-14-27-20(23-17)18-5-2-10-28-18/h1-5,10-11,14H,6-9,12-13H2,(H,22,26).
What are the key properties of N-(3-fluorophenyl)-2-[4-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]acetamide?
N-(3-fluorophenyl)-2-[4-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]acetamide has a molecular weight of 400.48 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-2-[4-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 8711231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).