4-fluoro-N-[3-oxo-3-[[(1R)-1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]amino]propyl]benzamide

C17H21FN4O3 — CID 126445834

IUPAC4-fluoro-N-[3-oxo-3-[[(1R)-1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]amino]propyl]benzamide
SMILESCC(C)c1nnc([C@@H](C)NC(=O)CCNC(=O)c2ccc(F)cc2)o1
InChIInChI=1S/C17H21FN4O3/c1-10(2)16-21-22-17(25-16)11(3)20-14(23)8-9-19-15(24)12-4-6-13(18)7-5-12/h4-7,10-11H,8-9H2,1-3H3,(H,19,24)(H,20,23)/t11-/m1/s1
InChIKeyMONKZQDOROIBAZ-LLVKDONJSA-N
MW348.38 g/mol
LogP2.33
Rot. Bonds7

About 4-fluoro-N-[3-oxo-3-[[(1R)-1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]amino]propyl]benzamide

4-fluoro-N-[3-oxo-3-[[(1R)-1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]amino]propyl]benzamide (PubChem CID 126445834) has the molecular formula C17H21FN4O3 and a molecular weight of 348.38 g/mol. Its IUPAC name is 4-fluoro-N-[3-oxo-3-[[(1R)-1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]amino]propyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[3-oxo-3-[[(1R)-1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]amino]propyl]benzamide
PubChem CID126445834
Molecular FormulaC17H21FN4O3
Molecular Weight348.38 g/mol
Exact Mass348.16
IUPAC Name4-fluoro-N-[3-oxo-3-[[(1R)-1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]amino]propyl]benzamide
SMILESCC(C)c1nnc([C@@H](C)NC(=O)CCNC(=O)c2ccc(F)cc2)o1
InChIInChI=1S/C17H21FN4O3/c1-10(2)16-21-22-17(25-16)11(3)20-14(23)8-9-19-15(24)12-4-6-13(18)7-5-12/h4-7,10-11H,8-9H2,1-3H3,(H,19,24)(H,20,23)/t11-/m1/s1
InChIKeyMONKZQDOROIBAZ-LLVKDONJSA-N
XLogP2.33
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-fluoro-N-[3-oxo-3-[[(1R)-1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]amino]propyl]benzamide with MolForge

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Related Compounds

4-fluoro-N-[3-oxo-3-[[(1S)-1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]amino]propyl]benzamide
CID 126445835
N-[3-[1-(4-fluorophenyl)ethylamino]-3-oxopropyl]naphthalene-2-carboxamide
CID 43056250
N-[3-(tert-butylamino)-3-oxopropyl]-4-fluorobenzamide
CID 47365751
4-tert-butyl-N-[3-[1-(2,4-difluorophenyl)ethylamino]-3-oxopropyl]benzamide
CID 84958314
2-(4-fluorophenyl)-N-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]acetamide
CID 110368446
N-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-4-(trifluoromethyl)benzamide
CID 110368479
(2S)-2-[3-[(4-fluorobenzoyl)amino]propanoylamino]hexanoic acid
CID 120614023
4-fluoro-N-[2-(3-methylbutan-2-ylcarbamoylamino)ethyl]benzamide
CID 60577670
N-[2-(butan-2-ylcarbamoylamino)ethyl]-4-fluorobenzamide
CID 47386650
(2R)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[3-[(4-fluorobenzoyl)amino]propanoylamino]acetic acid
CID 95200085
4-bromo-N-[3-[[(1R)-1-(furan-2-yl)ethyl]amino]-3-oxopropyl]benzamide
CID 9481980
N-[2-[[(2R)-2-aminopropanoyl]amino]ethyl]-4-fluorobenzamide
CID 119299559

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[3-oxo-3-[[(1R)-1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]amino]propyl]benzamide?
The IUPAC name of 4-fluoro-N-[3-oxo-3-[[(1R)-1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]amino]propyl]benzamide (CID 126445834) is 4-fluoro-N-[3-oxo-3-[[(1R)-1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]amino]propyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[3-oxo-3-[[(1R)-1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]amino]propyl]benzamide?
The canonical SMILES for 4-fluoro-N-[3-oxo-3-[[(1R)-1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]amino]propyl]benzamide is CC(C)c1nnc([C@@H](C)NC(=O)CCNC(=O)c2ccc(F)cc2)o1.
What is the InChIKey of 4-fluoro-N-[3-oxo-3-[[(1R)-1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]amino]propyl]benzamide?
The InChIKey is MONKZQDOROIBAZ-LLVKDONJSA-N. The full InChI is InChI=1S/C17H21FN4O3/c1-10(2)16-21-22-17(25-16)11(3)20-14(23)8-9-19-15(24)12-4-6-13(18)7-5-12/h4-7,10-11H,8-9H2,1-3H3,(H,19,24)(H,20,23)/t11-/m1/s1.
What are the key properties of 4-fluoro-N-[3-oxo-3-[[(1R)-1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]amino]propyl]benzamide?
4-fluoro-N-[3-oxo-3-[[(1R)-1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]amino]propyl]benzamide has a molecular weight of 348.38 g/mol, XLogP of 2.33, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[3-oxo-3-[[(1R)-1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]amino]propyl]benzamide is sourced from PubChem (CID 126445834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).