N-[[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methyl]-2-[(2S)-morpholin-2-yl]acetamide

C16H18FN3O3 — CID 125179473

IUPACN-[[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methyl]-2-[(2S)-morpholin-2-yl]acetamide
SMILESO=C(C[C@H]1CNCCO1)NCc1cc(-c2ccccc2F)no1
InChIInChI=1S/C16H18FN3O3/c17-14-4-2-1-3-13(14)15-7-12(23-20-15)10-19-16(21)8-11-9-18-5-6-22-11/h1-4,7,11,18H,5-6,8-10H2,(H,19,21)/t11-/m0/s1
InChIKeyZSLIPURAJOKKSR-NSHDSACASA-N
MW319.34 g/mol
LogP1.48
Rot. Bonds5

About N-[[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methyl]-2-[(2S)-morpholin-2-yl]acetamide

N-[[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methyl]-2-[(2S)-morpholin-2-yl]acetamide (PubChem CID 125179473) has the molecular formula C16H18FN3O3 and a molecular weight of 319.34 g/mol. Its IUPAC name is N-[[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methyl]-2-[(2S)-morpholin-2-yl]acetamide.

Molecular Properties

Compound NameN-[[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methyl]-2-[(2S)-morpholin-2-yl]acetamide
PubChem CID125179473
Molecular FormulaC16H18FN3O3
Molecular Weight319.34 g/mol
Exact Mass319.13
IUPAC NameN-[[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methyl]-2-[(2S)-morpholin-2-yl]acetamide
SMILESO=C(C[C@H]1CNCCO1)NCc1cc(-c2ccccc2F)no1
InChIInChI=1S/C16H18FN3O3/c17-14-4-2-1-3-13(14)15-7-12(23-20-15)10-19-16(21)8-11-9-18-5-6-22-11/h1-4,7,11,18H,5-6,8-10H2,(H,19,21)/t11-/m0/s1
InChIKeyZSLIPURAJOKKSR-NSHDSACASA-N
XLogP1.48
TPSA76.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.34
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methyl]-2-[(2S)-morpholin-2-yl]acetamide?
The IUPAC name of N-[[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methyl]-2-[(2S)-morpholin-2-yl]acetamide (CID 125179473) is N-[[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methyl]-2-[(2S)-morpholin-2-yl]acetamide.
What is the SMILES notation for N-[[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methyl]-2-[(2S)-morpholin-2-yl]acetamide?
The canonical SMILES for N-[[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methyl]-2-[(2S)-morpholin-2-yl]acetamide is O=C(C[C@H]1CNCCO1)NCc1cc(-c2ccccc2F)no1.
What is the InChIKey of N-[[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methyl]-2-[(2S)-morpholin-2-yl]acetamide?
The InChIKey is ZSLIPURAJOKKSR-NSHDSACASA-N. The full InChI is InChI=1S/C16H18FN3O3/c17-14-4-2-1-3-13(14)15-7-12(23-20-15)10-19-16(21)8-11-9-18-5-6-22-11/h1-4,7,11,18H,5-6,8-10H2,(H,19,21)/t11-/m0/s1.
What are the key properties of N-[[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methyl]-2-[(2S)-morpholin-2-yl]acetamide?
N-[[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methyl]-2-[(2S)-morpholin-2-yl]acetamide has a molecular weight of 319.34 g/mol, XLogP of 1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methyl]-2-[(2S)-morpholin-2-yl]acetamide is sourced from PubChem (CID 125179473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).