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

C15H13F5N2O3 — CID 91795512

IUPACN-[[3-(3-fluorophenyl)-1,2-oxazol-5-yl]methyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide
SMILESO=C(COCC(F)(F)C(F)F)NCc1cc(-c2cccc(F)c2)no1
InChIInChI=1S/C15H13F5N2O3/c16-10-3-1-2-9(4-10)12-5-11(25-22-12)6-21-13(23)7-24-8-15(19,20)14(17)18/h1-5,14H,6-8H2,(H,21,23)
InChIKeyFXBLMBFUJCABRG-UHFFFAOYSA-N
MW364.27 g/mol
LogP3.01
Rot. Bonds8

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

N-[[3-(3-fluorophenyl)-1,2-oxazol-5-yl]methyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide (PubChem CID 91795512) has the molecular formula C15H13F5N2O3 and a molecular weight of 364.27 g/mol. Its IUPAC name is N-[[3-(3-fluorophenyl)-1,2-oxazol-5-yl]methyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide.

Molecular Properties

Compound NameN-[[3-(3-fluorophenyl)-1,2-oxazol-5-yl]methyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide
PubChem CID91795512
Molecular FormulaC15H13F5N2O3
Molecular Weight364.27 g/mol
Exact Mass364.08
IUPAC NameN-[[3-(3-fluorophenyl)-1,2-oxazol-5-yl]methyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide
SMILESO=C(COCC(F)(F)C(F)F)NCc1cc(-c2cccc(F)c2)no1
InChIInChI=1S/C15H13F5N2O3/c16-10-3-1-2-9(4-10)12-5-11(25-22-12)6-21-13(23)7-24-8-15(19,20)14(17)18/h1-5,14H,6-8H2,(H,21,23)
InChIKeyFXBLMBFUJCABRG-UHFFFAOYSA-N
XLogP3.01
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.27
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N-[[3-(3-fluorophenyl)-1,2-oxazol-5-yl]methyl]acetamide
CID 131904014
N-(1H-indol-6-ylmethyl)-2-(2,2,3,3-tetrafluoropropoxy)acetamide
CID 91788242
N-[[3-(3-fluorophenyl)-1,2-oxazol-5-yl]methyl]-2,7-dioxo-1,3-diazepane-4-carboxamide
CID 122557570
1-(3,5-dimethyl-1-adamantyl)-3-[[3-(3-fluorophenyl)-1,2-oxazol-5-yl]methyl]urea
CID 122195471
N-[(3-phenyl-1,2-oxazol-5-yl)methyl]naphthalene-1-carboxamide
CID 71895813
tert-butyl N-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]carbamate
CID 68817763
N-[[3-(3-fluorophenyl)-1,2-oxazol-5-yl]methyl]-1-piperidin-1-ylpropan-2-amine
CID 122571033
3-[[5-[3-(3-fluorophenyl)-1,2-oxazol-5-yl]pentyl-methylcarbamoyl]amino]propanoic acid
CID 122019137
N-benzyl-2-[3-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
CID 50755668
N-[[3-(3-chlorophenyl)-1,2-oxazol-5-yl]methyl]-3-(methanesulfonamido)propanamide
CID 91837025
CID 74539384
CID 74539384
1-cyclopropyl-3-[[3-[3-fluoro-5-(trifluoromethoxy)phenyl]-1,2-oxazol-5-yl]methyl]urea
CID 165119473

Frequently Asked Questions

What is the IUPAC name of N-[[3-(3-fluorophenyl)-1,2-oxazol-5-yl]methyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide?
The IUPAC name of N-[[3-(3-fluorophenyl)-1,2-oxazol-5-yl]methyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide (CID 91795512) is N-[[3-(3-fluorophenyl)-1,2-oxazol-5-yl]methyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide.
What is the SMILES notation for N-[[3-(3-fluorophenyl)-1,2-oxazol-5-yl]methyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide?
The canonical SMILES for N-[[3-(3-fluorophenyl)-1,2-oxazol-5-yl]methyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide is O=C(COCC(F)(F)C(F)F)NCc1cc(-c2cccc(F)c2)no1.
What is the InChIKey of N-[[3-(3-fluorophenyl)-1,2-oxazol-5-yl]methyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide?
The InChIKey is FXBLMBFUJCABRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F5N2O3/c16-10-3-1-2-9(4-10)12-5-11(25-22-12)6-21-13(23)7-24-8-15(19,20)14(17)18/h1-5,14H,6-8H2,(H,21,23).
What are the key properties of N-[[3-(3-fluorophenyl)-1,2-oxazol-5-yl]methyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide?
N-[[3-(3-fluorophenyl)-1,2-oxazol-5-yl]methyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide has a molecular weight of 364.27 g/mol, XLogP of 3.01, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3-fluorophenyl)-1,2-oxazol-5-yl]methyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide is sourced from PubChem (CID 91795512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).