2-(4-fluorophenoxy)-N-(1,2-oxazol-3-yl)butanamide

C13H13FN2O3 — CID 17249225

IUPAC2-(4-fluorophenoxy)-N-(1,2-oxazol-3-yl)butanamide
SMILESCCC(Oc1ccc(F)cc1)C(=O)Nc1ccon1
InChIInChI=1S/C13H13FN2O3/c1-2-11(13(17)15-12-7-8-18-16-12)19-10-5-3-9(14)4-6-10/h3-8,11H,2H2,1H3,(H,15,16,17)
InChIKeyULBAQADDZJNYHG-UHFFFAOYSA-N
MW264.26 g/mol
LogP2.61
Rot. Bonds5

About 2-(4-fluorophenoxy)-N-(1,2-oxazol-3-yl)butanamide

2-(4-fluorophenoxy)-N-(1,2-oxazol-3-yl)butanamide (PubChem CID 17249225) has the molecular formula C13H13FN2O3 and a molecular weight of 264.26 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-N-(1,2-oxazol-3-yl)butanamide.

Molecular Properties

Compound Name2-(4-fluorophenoxy)-N-(1,2-oxazol-3-yl)butanamide
PubChem CID17249225
Molecular FormulaC13H13FN2O3
Molecular Weight264.26 g/mol
Exact Mass264.09
IUPAC Name2-(4-fluorophenoxy)-N-(1,2-oxazol-3-yl)butanamide
SMILESCCC(Oc1ccc(F)cc1)C(=O)Nc1ccon1
InChIInChI=1S/C13H13FN2O3/c1-2-11(13(17)15-12-7-8-18-16-12)19-10-5-3-9(14)4-6-10/h3-8,11H,2H2,1H3,(H,15,16,17)
InChIKeyULBAQADDZJNYHG-UHFFFAOYSA-N
XLogP2.61
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.26
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(4-methylphenoxy)-N-(1,2-oxazol-3-yl)butanamide
CID 27233380
(2S)-2-(4-chloro-3-methylphenoxy)-N-(1,2-oxazol-3-yl)butanamide
CID 27233481
(2S)-2-(4-fluorophenoxy)-N-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]butanamide
CID 39868138
(2S)-2-(4-fluorophenoxy)-N-(4-propan-2-ylphenyl)butanamide
CID 99131421
(2R)-N-(1,2-oxazol-3-yl)-2-(4-propan-2-ylphenoxy)propanamide
CID 42562865
2-(4-chlorophenoxy)-N-(4-fluorophenyl)butanamide
CID 53285318
2-(4-fluorophenoxy)-N-(3-propan-2-yloxyphenyl)butanamide
CID 43876065
2-(4-fluorophenoxy)-N-(3-methylphenyl)butanamide
CID 53284409
(2R)-2-(4-fluorophenoxy)-N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]butanamide
CID 40775968
(2S)-N-(3,5-dichlorophenyl)-2-(4-fluorophenoxy)butanamide
CID 94020016
(2R)-2-(4-fluorophenoxy)-N-pyridin-3-ylbutanamide
CID 99131304
(2S)-N-(3-bromophenyl)-2-(4-fluorophenoxy)butanamide
CID 92679949

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)-N-(1,2-oxazol-3-yl)butanamide?
The IUPAC name of 2-(4-fluorophenoxy)-N-(1,2-oxazol-3-yl)butanamide (CID 17249225) is 2-(4-fluorophenoxy)-N-(1,2-oxazol-3-yl)butanamide.
What is the SMILES notation for 2-(4-fluorophenoxy)-N-(1,2-oxazol-3-yl)butanamide?
The canonical SMILES for 2-(4-fluorophenoxy)-N-(1,2-oxazol-3-yl)butanamide is CCC(Oc1ccc(F)cc1)C(=O)Nc1ccon1.
What is the InChIKey of 2-(4-fluorophenoxy)-N-(1,2-oxazol-3-yl)butanamide?
The InChIKey is ULBAQADDZJNYHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O3/c1-2-11(13(17)15-12-7-8-18-16-12)19-10-5-3-9(14)4-6-10/h3-8,11H,2H2,1H3,(H,15,16,17).
What are the key properties of 2-(4-fluorophenoxy)-N-(1,2-oxazol-3-yl)butanamide?
2-(4-fluorophenoxy)-N-(1,2-oxazol-3-yl)butanamide has a molecular weight of 264.26 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)-N-(1,2-oxazol-3-yl)butanamide is sourced from PubChem (CID 17249225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).