(2S)-2-(2-fluorophenoxy)-N-[[3-(5-methyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]propanamide

C16H15FN4O4 — CID 100758322

IUPAC(2S)-2-(2-fluorophenoxy)-N-[[3-(5-methyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]propanamide
SMILESCc1cc(-c2noc(CNC(=O)[C@H](C)Oc3ccccc3F)n2)no1
InChIInChI=1S/C16H15FN4O4/c1-9-7-12(20-24-9)15-19-14(25-21-15)8-18-16(22)10(2)23-13-6-4-3-5-11(13)17/h3-7,10H,8H2,1-2H3,(H,18,22)/t10-/m0/s1
InChIKeyOIHVTALCFOVTTB-JTQLQIEISA-N
MW346.32 g/mol
LogP2.26
Rot. Bonds6

About (2S)-2-(2-fluorophenoxy)-N-[[3-(5-methyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]propanamide

(2S)-2-(2-fluorophenoxy)-N-[[3-(5-methyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]propanamide (PubChem CID 100758322) has the molecular formula C16H15FN4O4 and a molecular weight of 346.32 g/mol. Its IUPAC name is (2S)-2-(2-fluorophenoxy)-N-[[3-(5-methyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(2-fluorophenoxy)-N-[[3-(5-methyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]propanamide
PubChem CID100758322
Molecular FormulaC16H15FN4O4
Molecular Weight346.32 g/mol
Exact Mass346.11
IUPAC Name(2S)-2-(2-fluorophenoxy)-N-[[3-(5-methyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]propanamide
SMILESCc1cc(-c2noc(CNC(=O)[C@H](C)Oc3ccccc3F)n2)no1
InChIInChI=1S/C16H15FN4O4/c1-9-7-12(20-24-9)15-19-14(25-21-15)8-18-16(22)10(2)23-13-6-4-3-5-11(13)17/h3-7,10H,8H2,1-2H3,(H,18,22)/t10-/m0/s1
InChIKeyOIHVTALCFOVTTB-JTQLQIEISA-N
XLogP2.26
TPSA103.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.32
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(2R)-2-(2-chlorophenoxy)-N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]propanamide
CID 97267412
2-(2-methylphenoxy)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide
CID 132652415
(Z)-3-(2,5-difluorophenyl)-N-[[3-(5-methyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]prop-2-enamide
CID 91819276
N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(2-fluorophenoxy)butanamide
CID 50874934
3-(2-methoxyphenyl)-N-[[3-(5-methyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-1H-pyrazole-5-carboxamide
CID 91819241
N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenoxypropanamide
CID 2992810
(2R)-2-(2-fluorophenoxy)-N-[(4-methoxyphenyl)methyl]propanamide
CID 7892059
(2R)-2-(2,4-dichlorophenoxy)-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]propanamide
CID 8874789
2-(2,4-dimethylphenoxy)-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]propanamide
CID 50875003
N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(2-propan-2-ylphenoxy)propanamide
CID 132661146
2-(2-fluorophenoxy)-N-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]butanamide
CID 132658091
N-[[3-(5-methyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]pyridine-4-carboxamide
CID 91819231

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-fluorophenoxy)-N-[[3-(5-methyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]propanamide?
The IUPAC name of (2S)-2-(2-fluorophenoxy)-N-[[3-(5-methyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]propanamide (CID 100758322) is (2S)-2-(2-fluorophenoxy)-N-[[3-(5-methyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]propanamide.
What is the SMILES notation for (2S)-2-(2-fluorophenoxy)-N-[[3-(5-methyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]propanamide?
The canonical SMILES for (2S)-2-(2-fluorophenoxy)-N-[[3-(5-methyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]propanamide is Cc1cc(-c2noc(CNC(=O)[C@H](C)Oc3ccccc3F)n2)no1.
What is the InChIKey of (2S)-2-(2-fluorophenoxy)-N-[[3-(5-methyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]propanamide?
The InChIKey is OIHVTALCFOVTTB-JTQLQIEISA-N. The full InChI is InChI=1S/C16H15FN4O4/c1-9-7-12(20-24-9)15-19-14(25-21-15)8-18-16(22)10(2)23-13-6-4-3-5-11(13)17/h3-7,10H,8H2,1-2H3,(H,18,22)/t10-/m0/s1.
What are the key properties of (2S)-2-(2-fluorophenoxy)-N-[[3-(5-methyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]propanamide?
(2S)-2-(2-fluorophenoxy)-N-[[3-(5-methyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]propanamide has a molecular weight of 346.32 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-fluorophenoxy)-N-[[3-(5-methyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]propanamide is sourced from PubChem (CID 100758322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).