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

C12H13FN4O2 — CID 106398064

IUPACN-(4-fluorophenyl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]acetamide
SMILESCc1nc(CNCC(=O)Nc2ccc(F)cc2)no1
InChIInChI=1S/C12H13FN4O2/c1-8-15-11(17-19-8)6-14-7-12(18)16-10-4-2-9(13)3-5-10/h2-5,14H,6-7H2,1H3,(H,16,18)
InChIKeyWSJLRQWCNHPWOI-UHFFFAOYSA-N
MW264.26 g/mol
LogP1.25
Rot. Bonds5

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

N-(4-fluorophenyl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]acetamide (PubChem CID 106398064) has the molecular formula C12H13FN4O2 and a molecular weight of 264.26 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]acetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]acetamide
PubChem CID106398064
Molecular FormulaC12H13FN4O2
Molecular Weight264.26 g/mol
Exact Mass264.10
IUPAC NameN-(4-fluorophenyl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]acetamide
SMILESCc1nc(CNCC(=O)Nc2ccc(F)cc2)no1
InChIInChI=1S/C12H13FN4O2/c1-8-15-11(17-19-8)6-14-7-12(18)16-10-4-2-9(13)3-5-10/h2-5,14H,6-7H2,1H3,(H,16,18)
InChIKeyWSJLRQWCNHPWOI-UHFFFAOYSA-N
XLogP1.25
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.26
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]-N-(4-methylphenyl)acetamide
CID 106398305
N-benzyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]acetamide
CID 107911441
2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 106398458
N-(4-fluorophenyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]acetamide
CID 61283431
N-(4-fluorophenyl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 31301282
N-(4-fluorophenyl)-2-(pyridin-4-ylmethylamino)acetamide
CID 17066841
N-butyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]acetamide
CID 106398495
N-(4-fluorophenyl)-2-(propylamino)acetamide
CID 28586343
N-(4-fluorophenyl)-2-(prop-2-ynylamino)acetamide
CID 28563124
2-[(4-fluorophenyl)methylamino]-N-(4-propan-2-ylphenyl)acetamide
CID 108997765
N-(4-fluorophenyl)-2-(2-hydroxypropylamino)acetamide
CID 43389711
N-(4-fluorophenyl)-2-(2,3,3-trimethylbutylamino)acetamide
CID 83143170

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]acetamide?
The IUPAC name of N-(4-fluorophenyl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]acetamide (CID 106398064) is N-(4-fluorophenyl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]acetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]acetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]acetamide is Cc1nc(CNCC(=O)Nc2ccc(F)cc2)no1.
What is the InChIKey of N-(4-fluorophenyl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]acetamide?
The InChIKey is WSJLRQWCNHPWOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN4O2/c1-8-15-11(17-19-8)6-14-7-12(18)16-10-4-2-9(13)3-5-10/h2-5,14H,6-7H2,1H3,(H,16,18).
What are the key properties of N-(4-fluorophenyl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]acetamide?
N-(4-fluorophenyl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]acetamide has a molecular weight of 264.26 g/mol, XLogP of 1.25, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]acetamide is sourced from PubChem (CID 106398064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).