2-(3-aminopropoxy)-5-fluoro-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]benzamide

C14H17FN4O3 — CID 118773023

IUPAC2-(3-aminopropoxy)-5-fluoro-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]benzamide
SMILESCc1nonc1CNC(=O)c1cc(F)ccc1OCCCN
InChIInChI=1S/C14H17FN4O3/c1-9-12(19-22-18-9)8-17-14(20)11-7-10(15)3-4-13(11)21-6-2-5-16/h3-4,7H,2,5-6,8,16H2,1H3,(H,17,20)
InChIKeyKCZBNHAFYGYUGD-UHFFFAOYSA-N
MW308.31 g/mol
LogP1.17
Rot. Bonds7

About 2-(3-aminopropoxy)-5-fluoro-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]benzamide

2-(3-aminopropoxy)-5-fluoro-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]benzamide (PubChem CID 118773023) has the molecular formula C14H17FN4O3 and a molecular weight of 308.31 g/mol. Its IUPAC name is 2-(3-aminopropoxy)-5-fluoro-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]benzamide.

Molecular Properties

Compound Name2-(3-aminopropoxy)-5-fluoro-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]benzamide
PubChem CID118773023
Molecular FormulaC14H17FN4O3
Molecular Weight308.31 g/mol
Exact Mass308.13
IUPAC Name2-(3-aminopropoxy)-5-fluoro-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]benzamide
SMILESCc1nonc1CNC(=O)c1cc(F)ccc1OCCCN
InChIInChI=1S/C14H17FN4O3/c1-9-12(19-22-18-9)8-17-14(20)11-7-10(15)3-4-13(11)21-6-2-5-16/h3-4,7H,2,5-6,8,16H2,1H3,(H,17,20)
InChIKeyKCZBNHAFYGYUGD-UHFFFAOYSA-N
XLogP1.17
TPSA103.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.31
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

7-fluoro-2-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]quinoline-4-carboxamide
CID 131917230
2-(2-aminoethoxy)-5-fluoro-N-propan-2-ylbenzamide;hydrochloride
CID 166174909
2-(2-aminoethoxy)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-5-fluorobenzamide
CID 118784342
N-(2-aminoethyl)-5-fluoro-2-methoxybenzamide
CID 119385341
2-(2-aminoethoxy)-5-fluoro-N-[1-(4-methylphenoxy)propan-2-yl]benzamide
CID 118781955
2-(2-aminoethoxy)-N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-5-fluorobenzamide
CID 119064151
2-(2-aminoethoxy)-N-cyclopropyl-5-fluorobenzamide;hydrochloride
CID 166174911
2-(2-aminoethoxy)-N-[(2,5-difluorophenyl)methyl]-4-methoxybenzamide
CID 118769430
2-(2-aminoethoxy)-5-fluoro-N-(oxan-4-yl)benzamide;hydrochloride
CID 166174931
2-(2-aminoethoxy)-5-fluoro-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]benzamide
CID 118780799
2-(2-aminoethoxy)-N-[2-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]-5-fluorobenzamide
CID 126447738
2-(2-aminoethoxy)-N-[2-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]-5-fluorobenzamide
CID 126447739

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopropoxy)-5-fluoro-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]benzamide?
The IUPAC name of 2-(3-aminopropoxy)-5-fluoro-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]benzamide (CID 118773023) is 2-(3-aminopropoxy)-5-fluoro-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]benzamide.
What is the SMILES notation for 2-(3-aminopropoxy)-5-fluoro-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]benzamide?
The canonical SMILES for 2-(3-aminopropoxy)-5-fluoro-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]benzamide is Cc1nonc1CNC(=O)c1cc(F)ccc1OCCCN.
What is the InChIKey of 2-(3-aminopropoxy)-5-fluoro-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]benzamide?
The InChIKey is KCZBNHAFYGYUGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN4O3/c1-9-12(19-22-18-9)8-17-14(20)11-7-10(15)3-4-13(11)21-6-2-5-16/h3-4,7H,2,5-6,8,16H2,1H3,(H,17,20).
What are the key properties of 2-(3-aminopropoxy)-5-fluoro-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]benzamide?
2-(3-aminopropoxy)-5-fluoro-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]benzamide has a molecular weight of 308.31 g/mol, XLogP of 1.17, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopropoxy)-5-fluoro-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]benzamide is sourced from PubChem (CID 118773023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).