N,N-diethyl-3-[3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]benzamide

C23H24FN3O3 — CID 29477491

IUPACN,N-diethyl-3-[3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]benzamide
SMILESCCN(CC)C(=O)c1cccc(NC(=O)CCc2ncc(-c3ccccc3F)o2)c1
InChIInChI=1S/C23H24FN3O3/c1-3-27(4-2)23(29)16-8-7-9-17(14-16)26-21(28)12-13-22-25-15-20(30-22)18-10-5-6-11-19(18)24/h5-11,14-15H,3-4,12-13H2,1-2H3,(H,26,28)
InChIKeyBMZKTLOOYVREBN-UHFFFAOYSA-N
MW409.46 g/mol
LogP4.53
Rot. Bonds8

About N,N-diethyl-3-[3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]benzamide

N,N-diethyl-3-[3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]benzamide (PubChem CID 29477491) has the molecular formula C23H24FN3O3 and a molecular weight of 409.46 g/mol. Its IUPAC name is N,N-diethyl-3-[3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]benzamide.

Molecular Properties

Compound NameN,N-diethyl-3-[3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]benzamide
PubChem CID29477491
Molecular FormulaC23H24FN3O3
Molecular Weight409.46 g/mol
Exact Mass409.18
IUPAC NameN,N-diethyl-3-[3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]benzamide
SMILESCCN(CC)C(=O)c1cccc(NC(=O)CCc2ncc(-c3ccccc3F)o2)c1
InChIInChI=1S/C23H24FN3O3/c1-3-27(4-2)23(29)16-8-7-9-17(14-16)26-21(28)12-13-22-25-15-20(30-22)18-10-5-6-11-19(18)24/h5-11,14-15H,3-4,12-13H2,1-2H3,(H,26,28)
InChIKeyBMZKTLOOYVREBN-UHFFFAOYSA-N
XLogP4.53
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.46
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[3-(1-methyltetrazol-5-yl)phenyl]propanamide
CID 26124906
4-chloro-3-[3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]-N,N-dimethylbenzamide
CID 38955686
3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(1-methylpyrazol-3-yl)propanamide
CID 18152741
3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(4-nitrophenyl)propanamide
CID 16600080
N-[4-[3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]phenyl]cyclopropanecarboxamide
CID 26059317
N-[2-(ethylamino)ethyl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide;dihydrochloride
CID 119506652
N-ethyl-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]propanamide
CID 16596466
3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(2-hydroxy-4-methylphenyl)propanamide
CID 18138235
N-(2-bromophenyl)-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 16590286
3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(2-propoxyphenyl)propanamide
CID 46538866
N-(2,4-dibromophenyl)-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 16591581
3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N',N'-diphenylpropanehydrazide
CID 16590817

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-[3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]benzamide?
The IUPAC name of N,N-diethyl-3-[3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]benzamide (CID 29477491) is N,N-diethyl-3-[3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]benzamide.
What is the SMILES notation for N,N-diethyl-3-[3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]benzamide?
The canonical SMILES for N,N-diethyl-3-[3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]benzamide is CCN(CC)C(=O)c1cccc(NC(=O)CCc2ncc(-c3ccccc3F)o2)c1.
What is the InChIKey of N,N-diethyl-3-[3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]benzamide?
The InChIKey is BMZKTLOOYVREBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O3/c1-3-27(4-2)23(29)16-8-7-9-17(14-16)26-21(28)12-13-22-25-15-20(30-22)18-10-5-6-11-19(18)24/h5-11,14-15H,3-4,12-13H2,1-2H3,(H,26,28).
What are the key properties of N,N-diethyl-3-[3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]benzamide?
N,N-diethyl-3-[3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]benzamide has a molecular weight of 409.46 g/mol, XLogP of 4.53, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-[3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]benzamide is sourced from PubChem (CID 29477491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).