N-[2-[[5-[(dimethylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]ethyl]-4-fluorobenzamide

C14H18FN5O2 — CID 137334187

IUPACN-[2-[[5-[(dimethylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]ethyl]-4-fluorobenzamide
SMILESCN(C)Cc1nnc(NCCNC(=O)c2ccc(F)cc2)o1
InChIInChI=1S/C14H18FN5O2/c1-20(2)9-12-18-19-14(22-12)17-8-7-16-13(21)10-3-5-11(15)6-4-10/h3-6H,7-9H2,1-2H3,(H,16,21)(H,17,19)
InChIKeyZSBWXIMLVUCXTD-UHFFFAOYSA-N
MW307.33 g/mol
LogP1.11
Rot. Bonds7

About N-[2-[[5-[(dimethylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]ethyl]-4-fluorobenzamide

N-[2-[[5-[(dimethylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]ethyl]-4-fluorobenzamide (PubChem CID 137334187) has the molecular formula C14H18FN5O2 and a molecular weight of 307.33 g/mol. Its IUPAC name is N-[2-[[5-[(dimethylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]ethyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[2-[[5-[(dimethylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]ethyl]-4-fluorobenzamide
PubChem CID137334187
Molecular FormulaC14H18FN5O2
Molecular Weight307.33 g/mol
Exact Mass307.14
IUPAC NameN-[2-[[5-[(dimethylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]ethyl]-4-fluorobenzamide
SMILESCN(C)Cc1nnc(NCCNC(=O)c2ccc(F)cc2)o1
InChIInChI=1S/C14H18FN5O2/c1-20(2)9-12-18-19-14(22-12)17-8-7-16-13(21)10-3-5-11(15)6-4-10/h3-6H,7-9H2,1-2H3,(H,16,21)(H,17,19)
InChIKeyZSBWXIMLVUCXTD-UHFFFAOYSA-N
XLogP1.11
TPSA83.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.33
LogP ≤ 51.11
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

N-[3-(dimethylamino)propyl]-4-fluorobenzamide
CID 2249894
5-[(dimethylamino)methyl]-N-[1-(4-fluorophenyl)ethyl]-1,3,4-oxadiazol-2-amine
CID 137342888
4-fluoro-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]benzamide
CID 166210314
4-fluoro-N-[3-[(4-fluorobenzoyl)amino]propyl]benzamide
CID 2841750
N-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-4-fluorobenzamide
CID 56699285
N-[[4-[2-(dimethylamino)ethylamino]phenyl]methyl]-4-fluorobenzamide
CID 110441661
4-fluoro-N-[2-[(6-methylpyrimidin-4-yl)amino]ethyl]benzamide
CID 133298596
4-fluoro-N-(2-fluoroethyl)benzamide
CID 130478179
N-[2-[[(2R)-2-aminopropanoyl]amino]ethyl]-4-fluorobenzamide
CID 119299559
4-methyl-N-[3-[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]-3-oxopropyl]benzamide
CID 90647350
N-[2-[[N-[(4-fluorophenyl)methyl]-N,N'-dimethylcarbamimidoyl]amino]ethyl]benzamide;hydroiodide
CID 111306707
N-[2-(tert-butylcarbamothioylamino)ethyl]-4-fluorobenzamide
CID 47510244

Frequently Asked Questions

What is the IUPAC name of N-[2-[[5-[(dimethylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]ethyl]-4-fluorobenzamide?
The IUPAC name of N-[2-[[5-[(dimethylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]ethyl]-4-fluorobenzamide (CID 137334187) is N-[2-[[5-[(dimethylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]ethyl]-4-fluorobenzamide.
What is the SMILES notation for N-[2-[[5-[(dimethylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]ethyl]-4-fluorobenzamide?
The canonical SMILES for N-[2-[[5-[(dimethylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]ethyl]-4-fluorobenzamide is CN(C)Cc1nnc(NCCNC(=O)c2ccc(F)cc2)o1.
What is the InChIKey of N-[2-[[5-[(dimethylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]ethyl]-4-fluorobenzamide?
The InChIKey is ZSBWXIMLVUCXTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN5O2/c1-20(2)9-12-18-19-14(22-12)17-8-7-16-13(21)10-3-5-11(15)6-4-10/h3-6H,7-9H2,1-2H3,(H,16,21)(H,17,19).
What are the key properties of N-[2-[[5-[(dimethylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]ethyl]-4-fluorobenzamide?
N-[2-[[5-[(dimethylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]ethyl]-4-fluorobenzamide has a molecular weight of 307.33 g/mol, XLogP of 1.11, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[5-[(dimethylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]ethyl]-4-fluorobenzamide is sourced from PubChem (CID 137334187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).