N-[[4-[3-fluoro-4-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]phenyl]-5-oxo-1,2-oxazol-2-yl]methyl]acetamide

C22H28FN5O5 — CID 10298304

IUPACN-[[4-[3-fluoro-4-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]phenyl]-5-oxo-1,2-oxazol-2-yl]methyl]acetamide
SMILESCC(=O)NCn1cc(-c2ccc(N3CCN(C(=O)CN4CCOCC4)CC3)c(F)c2)c(=O)o1
InChIInChI=1S/C22H28FN5O5/c1-16(29)24-15-28-13-18(22(31)33-28)17-2-3-20(19(23)12-17)26-4-6-27(7-5-26)21(30)14-25-8-10-32-11-9-25/h2-3,12-13H,4-11,14-15H2,1H3,(H,24,29)
InChIKeyVRGJISGUMKOMIU-UHFFFAOYSA-N
MW461.49 g/mol
LogP0.32
Rot. Bonds6

About N-[[4-[3-fluoro-4-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]phenyl]-5-oxo-1,2-oxazol-2-yl]methyl]acetamide

N-[[4-[3-fluoro-4-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]phenyl]-5-oxo-1,2-oxazol-2-yl]methyl]acetamide (PubChem CID 10298304) has the molecular formula C22H28FN5O5 and a molecular weight of 461.49 g/mol. Its IUPAC name is N-[[4-[3-fluoro-4-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]phenyl]-5-oxo-1,2-oxazol-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[4-[3-fluoro-4-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]phenyl]-5-oxo-1,2-oxazol-2-yl]methyl]acetamide
PubChem CID10298304
Molecular FormulaC22H28FN5O5
Molecular Weight461.49 g/mol
Exact Mass461.21
IUPAC NameN-[[4-[3-fluoro-4-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]phenyl]-5-oxo-1,2-oxazol-2-yl]methyl]acetamide
SMILESCC(=O)NCn1cc(-c2ccc(N3CCN(C(=O)CN4CCOCC4)CC3)c(F)c2)c(=O)o1
InChIInChI=1S/C22H28FN5O5/c1-16(29)24-15-28-13-18(22(31)33-28)17-2-3-20(19(23)12-17)26-4-6-27(7-5-26)21(30)14-25-8-10-32-11-9-25/h2-3,12-13H,4-11,14-15H2,1H3,(H,24,29)
InChIKeyVRGJISGUMKOMIU-UHFFFAOYSA-N
XLogP0.32
TPSA100.26 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.49
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[3-fluoro-4-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]phenyl]-5-oxo-1,2-oxazol-2-yl]methyl]acetamide?
The IUPAC name of N-[[4-[3-fluoro-4-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]phenyl]-5-oxo-1,2-oxazol-2-yl]methyl]acetamide (CID 10298304) is N-[[4-[3-fluoro-4-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]phenyl]-5-oxo-1,2-oxazol-2-yl]methyl]acetamide.
What is the SMILES notation for N-[[4-[3-fluoro-4-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]phenyl]-5-oxo-1,2-oxazol-2-yl]methyl]acetamide?
The canonical SMILES for N-[[4-[3-fluoro-4-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]phenyl]-5-oxo-1,2-oxazol-2-yl]methyl]acetamide is CC(=O)NCn1cc(-c2ccc(N3CCN(C(=O)CN4CCOCC4)CC3)c(F)c2)c(=O)o1.
What is the InChIKey of N-[[4-[3-fluoro-4-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]phenyl]-5-oxo-1,2-oxazol-2-yl]methyl]acetamide?
The InChIKey is VRGJISGUMKOMIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28FN5O5/c1-16(29)24-15-28-13-18(22(31)33-28)17-2-3-20(19(23)12-17)26-4-6-27(7-5-26)21(30)14-25-8-10-32-11-9-25/h2-3,12-13H,4-11,14-15H2,1H3,(H,24,29).
What are the key properties of N-[[4-[3-fluoro-4-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]phenyl]-5-oxo-1,2-oxazol-2-yl]methyl]acetamide?
N-[[4-[3-fluoro-4-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]phenyl]-5-oxo-1,2-oxazol-2-yl]methyl]acetamide has a molecular weight of 461.49 g/mol, XLogP of 0.32, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[3-fluoro-4-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]phenyl]-5-oxo-1,2-oxazol-2-yl]methyl]acetamide is sourced from PubChem (CID 10298304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).