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

C15H17FN2O4 — CID 135973111

IUPAC2-[3-(2-fluoro-4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-1-morpholin-4-ylethanone
SMILESO=C(CC1CC(c2ccc(O)cc2F)=NO1)N1CCOCC1
InChIInChI=1S/C15H17FN2O4/c16-13-7-10(19)1-2-12(13)14-8-11(22-17-14)9-15(20)18-3-5-21-6-4-18/h1-2,7,11,19H,3-6,8-9H2
InChIKeyRHUQXUHOFXNQSG-UHFFFAOYSA-N
MW308.31 g/mol
LogP1.27
Rot. Bonds3

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

2-[3-(2-fluoro-4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-1-morpholin-4-ylethanone (PubChem CID 135973111) has the molecular formula C15H17FN2O4 and a molecular weight of 308.31 g/mol. Its IUPAC name is 2-[3-(2-fluoro-4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[3-(2-fluoro-4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-1-morpholin-4-ylethanone
PubChem CID135973111
Molecular FormulaC15H17FN2O4
Molecular Weight308.31 g/mol
Exact Mass308.12
IUPAC Name2-[3-(2-fluoro-4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-1-morpholin-4-ylethanone
SMILESO=C(CC1CC(c2ccc(O)cc2F)=NO1)N1CCOCC1
InChIInChI=1S/C15H17FN2O4/c16-13-7-10(19)1-2-12(13)14-8-11(22-17-14)9-15(20)18-3-5-21-6-4-18/h1-2,7,11,19H,3-6,8-9H2
InChIKeyRHUQXUHOFXNQSG-UHFFFAOYSA-N
XLogP1.27
TPSA71.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.31
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(2-Hydroxy-phenyl)-4,5-dihydro-isoxazol-5-yl]-piperidin-1-yl-methanone
CID 3158142
N-cyclohexyl-2-(3-(4-hydroxyphenyl)-4,5-dihydroisoxazol-5-yl)acetamide
CID 135973104
N-(4-aminobutyl)-2-(3-(4-hydroxyphenyl)-4,5-dihydroisoxazol-5-yl)acetamide
CID 136043748
1-(2-(3-(3-Fluoro-4-hydroxyphenyl)-4,5-dihydroisoxazol-5-yl)ethyl)pyrrolidine-2,5-dione
CID 135965913
4-{[3-(4-Methoxyphenyl)-4,5-dihydro-5-isoxazolyl]carbonyl}morpholine
CID 17095662
3-(2-hydroxyphenyl)-N-(3-morpholin-4-ylpropyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 2962270
Methyl 4-[[2-[3-(2-fluoro-4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetyl]amino]butanoate
CID 135973070
2-[3-(2-fluoro-4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-methyl-N-(2-methylpropyl)acetamide
CID 135973100
2-[3-(2-fluoro-4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-(4-oxohexyl)acetamide
CID 136416213
2-[5-(Morpholine-4-carbonyl)-4,5-dihydro-1,2-oxazol-3-YL]phenol
CID 3158141
2-[(2R)-4-(4-hydroxyphenyl)-2,3-dihydrofuran-2-yl]-1-morpholin-4-ylethanone
CID 68316766
4-[2-[3-(4-Hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetyl]piperazine-1-carboxylic acid
CID 135973035

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-fluoro-4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[3-(2-fluoro-4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-1-morpholin-4-ylethanone (CID 135973111) is 2-[3-(2-fluoro-4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[3-(2-fluoro-4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[3-(2-fluoro-4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-1-morpholin-4-ylethanone is O=C(CC1CC(c2ccc(O)cc2F)=NO1)N1CCOCC1.
What is the InChIKey of 2-[3-(2-fluoro-4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-1-morpholin-4-ylethanone?
The InChIKey is RHUQXUHOFXNQSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O4/c16-13-7-10(19)1-2-12(13)14-8-11(22-17-14)9-15(20)18-3-5-21-6-4-18/h1-2,7,11,19H,3-6,8-9H2.
What are the key properties of 2-[3-(2-fluoro-4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-1-morpholin-4-ylethanone?
2-[3-(2-fluoro-4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-1-morpholin-4-ylethanone has a molecular weight of 308.31 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-fluoro-4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-1-morpholin-4-ylethanone is sourced from PubChem (CID 135973111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).