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

C16H18FN3O4 — CID 18466575

IUPACN-[[4-(3-fluoro-4-morpholin-4-ylphenyl)-5-oxo-1,2-oxazol-2-yl]methyl]acetamide
SMILESCC(=O)NCn1cc(-c2ccc(N3CCOCC3)c(F)c2)c(=O)o1
InChIInChI=1S/C16H18FN3O4/c1-11(21)18-10-20-9-13(16(22)24-20)12-2-3-15(14(17)8-12)19-4-6-23-7-5-19/h2-3,8-9H,4-7,10H2,1H3,(H,18,21)
InChIKeyOPEYTPMNXXXXTH-UHFFFAOYSA-N
MW335.34 g/mol
LogP1.18
Rot. Bonds4

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

N-[[4-(3-fluoro-4-morpholin-4-ylphenyl)-5-oxo-1,2-oxazol-2-yl]methyl]acetamide (PubChem CID 18466575) has the molecular formula C16H18FN3O4 and a molecular weight of 335.34 g/mol. Its IUPAC name is N-[[4-(3-fluoro-4-morpholin-4-ylphenyl)-5-oxo-1,2-oxazol-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[4-(3-fluoro-4-morpholin-4-ylphenyl)-5-oxo-1,2-oxazol-2-yl]methyl]acetamide
PubChem CID18466575
Molecular FormulaC16H18FN3O4
Molecular Weight335.34 g/mol
Exact Mass335.13
IUPAC NameN-[[4-(3-fluoro-4-morpholin-4-ylphenyl)-5-oxo-1,2-oxazol-2-yl]methyl]acetamide
SMILESCC(=O)NCn1cc(-c2ccc(N3CCOCC3)c(F)c2)c(=O)o1
InChIInChI=1S/C16H18FN3O4/c1-11(21)18-10-20-9-13(16(22)24-20)12-2-3-15(14(17)8-12)19-4-6-23-7-5-19/h2-3,8-9H,4-7,10H2,1H3,(H,18,21)
InChIKeyOPEYTPMNXXXXTH-UHFFFAOYSA-N
XLogP1.18
TPSA76.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.34
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(3-fluoro-4-morpholin-4-ylphenyl)-5-oxo-1,2-oxazol-2-yl]methyl]acetamide?
The IUPAC name of N-[[4-(3-fluoro-4-morpholin-4-ylphenyl)-5-oxo-1,2-oxazol-2-yl]methyl]acetamide (CID 18466575) is N-[[4-(3-fluoro-4-morpholin-4-ylphenyl)-5-oxo-1,2-oxazol-2-yl]methyl]acetamide.
What is the SMILES notation for N-[[4-(3-fluoro-4-morpholin-4-ylphenyl)-5-oxo-1,2-oxazol-2-yl]methyl]acetamide?
The canonical SMILES for N-[[4-(3-fluoro-4-morpholin-4-ylphenyl)-5-oxo-1,2-oxazol-2-yl]methyl]acetamide is CC(=O)NCn1cc(-c2ccc(N3CCOCC3)c(F)c2)c(=O)o1.
What is the InChIKey of N-[[4-(3-fluoro-4-morpholin-4-ylphenyl)-5-oxo-1,2-oxazol-2-yl]methyl]acetamide?
The InChIKey is OPEYTPMNXXXXTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O4/c1-11(21)18-10-20-9-13(16(22)24-20)12-2-3-15(14(17)8-12)19-4-6-23-7-5-19/h2-3,8-9H,4-7,10H2,1H3,(H,18,21).
What are the key properties of N-[[4-(3-fluoro-4-morpholin-4-ylphenyl)-5-oxo-1,2-oxazol-2-yl]methyl]acetamide?
N-[[4-(3-fluoro-4-morpholin-4-ylphenyl)-5-oxo-1,2-oxazol-2-yl]methyl]acetamide has a molecular weight of 335.34 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3-fluoro-4-morpholin-4-ylphenyl)-5-oxo-1,2-oxazol-2-yl]methyl]acetamide is sourced from PubChem (CID 18466575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).