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

C13H16FN5O2 — CID 120750559

IUPAC2-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl-methylamino]-N-(3-fluorophenyl)acetamide
SMILESCN(CC(=O)Nc1cccc(F)c1)Cc1noc(CN)n1
InChIInChI=1S/C13H16FN5O2/c1-19(7-11-17-13(6-15)21-18-11)8-12(20)16-10-4-2-3-9(14)5-10/h2-5H,6-8,15H2,1H3,(H,16,20)
InChIKeyQSRPMFPCTCSIAY-UHFFFAOYSA-N
MW293.30 g/mol
LogP0.74
Rot. Bonds6

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

2-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl-methylamino]-N-(3-fluorophenyl)acetamide (PubChem CID 120750559) has the molecular formula C13H16FN5O2 and a molecular weight of 293.30 g/mol. Its IUPAC name is 2-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl-methylamino]-N-(3-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl-methylamino]-N-(3-fluorophenyl)acetamide
PubChem CID120750559
Molecular FormulaC13H16FN5O2
Molecular Weight293.30 g/mol
Exact Mass293.13
IUPAC Name2-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl-methylamino]-N-(3-fluorophenyl)acetamide
SMILESCN(CC(=O)Nc1cccc(F)c1)Cc1noc(CN)n1
InChIInChI=1S/C13H16FN5O2/c1-19(7-11-17-13(6-15)21-18-11)8-12(20)16-10-4-2-3-9(14)5-10/h2-5H,6-8,15H2,1H3,(H,16,20)
InChIKeyQSRPMFPCTCSIAY-UHFFFAOYSA-N
XLogP0.74
TPSA97.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.30
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl-methylamino]-N-(3-chlorophenyl)acetamide;hydrochloride
CID 120751211
2-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl-methylamino]-N-(4-methylphenyl)acetamide
CID 120750434
N-(3-fluorophenyl)-2-[(3-fluorophenyl)methyl-methylamino]acetamide
CID 9223772
N-(3-fluorophenyl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide
CID 2714145
N-(3-fluorophenyl)-2-[[5-(4-fluorophenyl)-4-methyl-1,2-oxazol-3-yl]methyl-methylamino]acetamide
CID 8847354
2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]acetic acid
CID 14802232
N-(3-fluorophenyl)-2-[methyl-[2-(3-methylanilino)-2-oxoethyl]amino]acetamide
CID 2658590
N-(3-fluorophenyl)-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide
CID 9049384
N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-ethyl-3-fluoroaniline;hydrochloride
CID 120751290
N-(3-fluorophenyl)-2-[methyl-[(4-nitrophenyl)methyl]amino]acetamide
CID 9250556
2-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl-methylamino]-N-(3-fluorophenyl)acetamide
CID 9250444
[3-[[(4-ethylphenyl)methyl-methylamino]methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 120750487

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl-methylamino]-N-(3-fluorophenyl)acetamide?
The IUPAC name of 2-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl-methylamino]-N-(3-fluorophenyl)acetamide (CID 120750559) is 2-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl-methylamino]-N-(3-fluorophenyl)acetamide.
What is the SMILES notation for 2-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl-methylamino]-N-(3-fluorophenyl)acetamide?
The canonical SMILES for 2-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl-methylamino]-N-(3-fluorophenyl)acetamide is CN(CC(=O)Nc1cccc(F)c1)Cc1noc(CN)n1.
What is the InChIKey of 2-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl-methylamino]-N-(3-fluorophenyl)acetamide?
The InChIKey is QSRPMFPCTCSIAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN5O2/c1-19(7-11-17-13(6-15)21-18-11)8-12(20)16-10-4-2-3-9(14)5-10/h2-5H,6-8,15H2,1H3,(H,16,20).
What are the key properties of 2-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl-methylamino]-N-(3-fluorophenyl)acetamide?
2-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl-methylamino]-N-(3-fluorophenyl)acetamide has a molecular weight of 293.30 g/mol, XLogP of 0.74, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl-methylamino]-N-(3-fluorophenyl)acetamide is sourced from PubChem (CID 120750559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).