2-[(5S)-3-(2,4-difluorophenyl)-2,5-dihydro-1,2-oxazol-5-yl]-1-morpholin-4-ylethanone

C15H16F2N2O3 — CID 123396334

IUPAC2-[(5S)-3-(2,4-difluorophenyl)-2,5-dihydro-1,2-oxazol-5-yl]-1-morpholin-4-ylethanone
SMILESO=C(C[C@H]1C=C(c2ccc(F)cc2F)NO1)N1CCOCC1
InChIInChI=1S/C15H16F2N2O3/c16-10-1-2-12(13(17)7-10)14-8-11(22-18-14)9-15(20)19-3-5-21-6-4-19/h1-2,7-8,11,18H,3-6,9H2/t11-/m1/s1
InChIKeyDRDLKWZJOKDJNZ-LLVKDONJSA-N
MW310.30 g/mol
LogP1.46
Rot. Bonds3

About 2-[(5S)-3-(2,4-difluorophenyl)-2,5-dihydro-1,2-oxazol-5-yl]-1-morpholin-4-ylethanone

2-[(5S)-3-(2,4-difluorophenyl)-2,5-dihydro-1,2-oxazol-5-yl]-1-morpholin-4-ylethanone (PubChem CID 123396334) has the molecular formula C15H16F2N2O3 and a molecular weight of 310.30 g/mol. Its IUPAC name is 2-[(5S)-3-(2,4-difluorophenyl)-2,5-dihydro-1,2-oxazol-5-yl]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[(5S)-3-(2,4-difluorophenyl)-2,5-dihydro-1,2-oxazol-5-yl]-1-morpholin-4-ylethanone
PubChem CID123396334
Molecular FormulaC15H16F2N2O3
Molecular Weight310.30 g/mol
Exact Mass310.11
IUPAC Name2-[(5S)-3-(2,4-difluorophenyl)-2,5-dihydro-1,2-oxazol-5-yl]-1-morpholin-4-ylethanone
SMILESO=C(C[C@H]1C=C(c2ccc(F)cc2F)NO1)N1CCOCC1
InChIInChI=1S/C15H16F2N2O3/c16-10-1-2-12(13(17)7-10)14-8-11(22-18-14)9-15(20)19-3-5-21-6-4-19/h1-2,7-8,11,18H,3-6,9H2/t11-/m1/s1
InChIKeyDRDLKWZJOKDJNZ-LLVKDONJSA-N
XLogP1.46
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.30
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(5S)-3-(2,4-difluorophenyl)-2,5-dihydro-1,2-oxazol-5-yl]-1-morpholin-4-ylethanone with MolForge

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Related Compounds

4-[[3-[4-(Trifluoromethyl)phenyl]-2,5-dihydro-1,2-oxazol-5-yl]methyl]morpholine
CID 56999532
N-[[3-(3,4-difluorophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide
CID 57079825
N-[1-(3,4-difluorophenyl)ethyl]-N-methyl-2-morpholin-2-ylacetamide
CID 66426360
N-[(2,5-difluorophenyl)methyl]-2-morpholin-2-ylacetamide
CID 66426415
N-[(2,4-difluorophenyl)methyl]-N-methyl-2-morpholin-2-ylacetamide
CID 66426779
N-[(3,4-difluorophenyl)methyl]-2-morpholin-2-ylacetamide
CID 66426815
N-[(2,4-difluorophenyl)methyl]-2-morpholin-2-ylacetamide
CID 66427472
N-ethyl-N-[(3-fluorophenyl)methyl]-2-morpholin-2-ylacetamide
CID 66427852
N-[(3,4-difluorophenyl)methyl]-N-methyl-2-morpholin-2-ylacetamide
CID 66428062
N-[1-(2-fluorophenyl)ethyl]-N-methyl-2-morpholin-2-ylacetamide
CID 66428914
N-[1-(2,6-difluorophenyl)ethyl]-2-morpholin-2-ylacetamide
CID 66429118
N-[(3,4-difluorophenyl)methyl]-N-ethyl-2-morpholin-2-ylacetamide
CID 66429131

Frequently Asked Questions

What is the IUPAC name of 2-[(5S)-3-(2,4-difluorophenyl)-2,5-dihydro-1,2-oxazol-5-yl]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[(5S)-3-(2,4-difluorophenyl)-2,5-dihydro-1,2-oxazol-5-yl]-1-morpholin-4-ylethanone (CID 123396334) is 2-[(5S)-3-(2,4-difluorophenyl)-2,5-dihydro-1,2-oxazol-5-yl]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[(5S)-3-(2,4-difluorophenyl)-2,5-dihydro-1,2-oxazol-5-yl]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[(5S)-3-(2,4-difluorophenyl)-2,5-dihydro-1,2-oxazol-5-yl]-1-morpholin-4-ylethanone is O=C(C[C@H]1C=C(c2ccc(F)cc2F)NO1)N1CCOCC1.
What is the InChIKey of 2-[(5S)-3-(2,4-difluorophenyl)-2,5-dihydro-1,2-oxazol-5-yl]-1-morpholin-4-ylethanone?
The InChIKey is DRDLKWZJOKDJNZ-LLVKDONJSA-N. The full InChI is InChI=1S/C15H16F2N2O3/c16-10-1-2-12(13(17)7-10)14-8-11(22-18-14)9-15(20)19-3-5-21-6-4-19/h1-2,7-8,11,18H,3-6,9H2/t11-/m1/s1.
What are the key properties of 2-[(5S)-3-(2,4-difluorophenyl)-2,5-dihydro-1,2-oxazol-5-yl]-1-morpholin-4-ylethanone?
2-[(5S)-3-(2,4-difluorophenyl)-2,5-dihydro-1,2-oxazol-5-yl]-1-morpholin-4-ylethanone has a molecular weight of 310.30 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5S)-3-(2,4-difluorophenyl)-2,5-dihydro-1,2-oxazol-5-yl]-1-morpholin-4-ylethanone is sourced from PubChem (CID 123396334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).