N-(2,6-difluorophenyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]acetamide

C12H12F2N4O2 — CID 61015248

IUPACN-(2,6-difluorophenyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]acetamide
SMILESCc1noc(CNCC(=O)Nc2c(F)cccc2F)n1
InChIInChI=1S/C12H12F2N4O2/c1-7-16-11(20-18-7)6-15-5-10(19)17-12-8(13)3-2-4-9(12)14/h2-4,15H,5-6H2,1H3,(H,17,19)
InChIKeyBAEQEOBNFKCXLU-UHFFFAOYSA-N
MW282.25 g/mol
LogP1.38
Rot. Bonds5

About N-(2,6-difluorophenyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]acetamide

N-(2,6-difluorophenyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]acetamide (PubChem CID 61015248) has the molecular formula C12H12F2N4O2 and a molecular weight of 282.25 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]acetamide.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]acetamide
PubChem CID61015248
Molecular FormulaC12H12F2N4O2
Molecular Weight282.25 g/mol
Exact Mass282.09
IUPAC NameN-(2,6-difluorophenyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]acetamide
SMILESCc1noc(CNCC(=O)Nc2c(F)cccc2F)n1
InChIInChI=1S/C12H12F2N4O2/c1-7-16-11(20-18-7)6-15-5-10(19)17-12-8(13)3-2-4-9(12)14/h2-4,15H,5-6H2,1H3,(H,17,19)
InChIKeyBAEQEOBNFKCXLU-UHFFFAOYSA-N
XLogP1.38
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.25
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-fluoro-6-hydroxy-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 104917845
N-(2,6-difluorophenyl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide
CID 110428877
N-(2,6-difluorophenyl)-2-[(1-methylimidazol-2-yl)methylamino]acetamide
CID 63295828
2-(2,6-difluoroanilino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 109011324
4-fluoro-3-[[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]methyl]benzoic acid
CID 107452603
2-acetamido-N-(2,6-difluorophenyl)acetamide
CID 110687110
2-(2-bromoprop-2-enylamino)-N-(2,6-difluorophenyl)acetamide
CID 115745461
2-(2-chloroprop-2-enylamino)-N-(2,6-difluorophenyl)acetamide
CID 115745436
N-[(2-fluorophenyl)methyl]-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]benzamide
CID 47064163
1-[(2-fluorophenyl)methyl]-2-methyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]guanidine
CID 111265153
3-[[2-(2,6-difluoroanilino)-2-oxoethyl]amino]propanamide
CID 43626499
N-(2,6-difluorophenyl)-2-[(2-methylcyclopropyl)methylamino]acetamide
CID 113463807

Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]acetamide?
The IUPAC name of N-(2,6-difluorophenyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]acetamide (CID 61015248) is N-(2,6-difluorophenyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]acetamide.
What is the SMILES notation for N-(2,6-difluorophenyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]acetamide?
The canonical SMILES for N-(2,6-difluorophenyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]acetamide is Cc1noc(CNCC(=O)Nc2c(F)cccc2F)n1.
What is the InChIKey of N-(2,6-difluorophenyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]acetamide?
The InChIKey is BAEQEOBNFKCXLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N4O2/c1-7-16-11(20-18-7)6-15-5-10(19)17-12-8(13)3-2-4-9(12)14/h2-4,15H,5-6H2,1H3,(H,17,19).
What are the key properties of N-(2,6-difluorophenyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]acetamide?
N-(2,6-difluorophenyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]acetamide has a molecular weight of 282.25 g/mol, XLogP of 1.38, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluorophenyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]acetamide is sourced from PubChem (CID 61015248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).