(2S)-2-(2-fluorophenoxy)-N-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)butanamide

C17H16FN3O3 — CID 97319412

IUPAC(2S)-2-(2-fluorophenoxy)-N-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)butanamide
SMILESCC[C@H](Oc1ccccc1F)C(=O)Nc1cnc2onc(C)c2c1
InChIInChI=1S/C17H16FN3O3/c1-3-14(23-15-7-5-4-6-13(15)18)16(22)20-11-8-12-10(2)21-24-17(12)19-9-11/h4-9,14H,3H2,1-2H3,(H,20,22)/t14-/m0/s1
InChIKeyRFKKWAXBYHQYAO-AWEZNQCLSA-N
MW329.33 g/mol
LogP3.47
Rot. Bonds5

About (2S)-2-(2-fluorophenoxy)-N-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)butanamide

(2S)-2-(2-fluorophenoxy)-N-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)butanamide (PubChem CID 97319412) has the molecular formula C17H16FN3O3 and a molecular weight of 329.33 g/mol. Its IUPAC name is (2S)-2-(2-fluorophenoxy)-N-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)butanamide.

Molecular Properties

Compound Name(2S)-2-(2-fluorophenoxy)-N-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)butanamide
PubChem CID97319412
Molecular FormulaC17H16FN3O3
Molecular Weight329.33 g/mol
Exact Mass329.12
IUPAC Name(2S)-2-(2-fluorophenoxy)-N-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)butanamide
SMILESCC[C@H](Oc1ccccc1F)C(=O)Nc1cnc2onc(C)c2c1
InChIInChI=1S/C17H16FN3O3/c1-3-14(23-15-7-5-4-6-13(15)18)16(22)20-11-8-12-10(2)21-24-17(12)19-9-11/h4-9,14H,3H2,1-2H3,(H,20,22)/t14-/m0/s1
InChIKeyRFKKWAXBYHQYAO-AWEZNQCLSA-N
XLogP3.47
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.33
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-(4-acetamidophenyl)-2-(2-fluorophenoxy)butanamide
CID 9180312
N-(4-ethylphenyl)-2-(2-fluorophenoxy)butanamide
CID 53286461
N-(3,4-dimethoxyphenyl)-2-(2-fluorophenoxy)butanamide
CID 44782476
(2R)-N-(3,4-dimethoxyphenyl)-2-(2-fluorophenoxy)butanamide
CID 40742385
(2R)-N-(2,6-dimethylphenyl)-2-(2-fluorophenoxy)butanamide
CID 40746709
(2R)-2-(2-fluorophenoxy)-N-[4-(4-methylphenyl)-1,2,5-oxadiazol-3-yl]butanamide
CID 7708611
N-(4-chloro-2-methylphenyl)-2-(2-fluorophenoxy)butanamide
CID 78843004
(2S)-N-(5-chloro-2-methylphenyl)-2-(2-fluorophenoxy)butanamide
CID 9173655
N-[4-(diethylsulfamoyl)phenyl]-2-(2-fluorophenoxy)butanamide
CID 78843000
(2R)-2-(2-fluorophenoxy)-N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)butanamide
CID 42280140
2-(2-fluorophenoxy)-N-(5-methyl-1H-1,2,4-triazol-3-yl)butanamide
CID 71863908
2-(2-fluorophenoxy)-N-propan-2-ylbutanamide
CID 53286261

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-fluorophenoxy)-N-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)butanamide?
The IUPAC name of (2S)-2-(2-fluorophenoxy)-N-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)butanamide (CID 97319412) is (2S)-2-(2-fluorophenoxy)-N-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)butanamide.
What is the SMILES notation for (2S)-2-(2-fluorophenoxy)-N-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)butanamide?
The canonical SMILES for (2S)-2-(2-fluorophenoxy)-N-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)butanamide is CC[C@H](Oc1ccccc1F)C(=O)Nc1cnc2onc(C)c2c1.
What is the InChIKey of (2S)-2-(2-fluorophenoxy)-N-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)butanamide?
The InChIKey is RFKKWAXBYHQYAO-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H16FN3O3/c1-3-14(23-15-7-5-4-6-13(15)18)16(22)20-11-8-12-10(2)21-24-17(12)19-9-11/h4-9,14H,3H2,1-2H3,(H,20,22)/t14-/m0/s1.
What are the key properties of (2S)-2-(2-fluorophenoxy)-N-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)butanamide?
(2S)-2-(2-fluorophenoxy)-N-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)butanamide has a molecular weight of 329.33 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-fluorophenoxy)-N-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)butanamide is sourced from PubChem (CID 97319412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).