N-[2-fluoro-5-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]acetamide

C14H16FN3O3 — CID 71858172

IUPACN-[2-fluoro-5-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]acetamide
SMILESCOC(C)(C)c1noc(-c2ccc(F)c(NC(C)=O)c2)n1
InChIInChI=1S/C14H16FN3O3/c1-8(19)16-11-7-9(5-6-10(11)15)12-17-13(18-21-12)14(2,3)20-4/h5-7H,1-4H3,(H,16,19)
InChIKeyKDKQAGQYKBIMAU-UHFFFAOYSA-N
MW293.30 g/mol
LogP2.72
Rot. Bonds4

About N-[2-fluoro-5-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]acetamide

N-[2-fluoro-5-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]acetamide (PubChem CID 71858172) has the molecular formula C14H16FN3O3 and a molecular weight of 293.30 g/mol. Its IUPAC name is N-[2-fluoro-5-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-fluoro-5-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]acetamide
PubChem CID71858172
Molecular FormulaC14H16FN3O3
Molecular Weight293.30 g/mol
Exact Mass293.12
IUPAC NameN-[2-fluoro-5-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]acetamide
SMILESCOC(C)(C)c1noc(-c2ccc(F)c(NC(C)=O)c2)n1
InChIInChI=1S/C14H16FN3O3/c1-8(19)16-11-7-9(5-6-10(11)15)12-17-13(18-21-12)14(2,3)20-4/h5-7H,1-4H3,(H,16,19)
InChIKeyKDKQAGQYKBIMAU-UHFFFAOYSA-N
XLogP2.72
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.30
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-5-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]acetamide?
The IUPAC name of N-[2-fluoro-5-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]acetamide (CID 71858172) is N-[2-fluoro-5-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]acetamide.
What is the SMILES notation for N-[2-fluoro-5-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]acetamide?
The canonical SMILES for N-[2-fluoro-5-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]acetamide is COC(C)(C)c1noc(-c2ccc(F)c(NC(C)=O)c2)n1.
What is the InChIKey of N-[2-fluoro-5-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]acetamide?
The InChIKey is KDKQAGQYKBIMAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O3/c1-8(19)16-11-7-9(5-6-10(11)15)12-17-13(18-21-12)14(2,3)20-4/h5-7H,1-4H3,(H,16,19).
What are the key properties of N-[2-fluoro-5-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]acetamide?
N-[2-fluoro-5-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]acetamide has a molecular weight of 293.30 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-5-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]acetamide is sourced from PubChem (CID 71858172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).