4-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]-N-methylbenzamide

C20H18FN3O3 — CID 16598099

IUPAC4-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(NC(=O)CCc2ncc(-c3ccc(F)cc3)o2)cc1
InChIInChI=1S/C20H18FN3O3/c1-22-20(26)14-4-8-16(9-5-14)24-18(25)10-11-19-23-12-17(27-19)13-2-6-15(21)7-3-13/h2-9,12H,10-11H2,1H3,(H,22,26)(H,24,25)
InChIKeyJKPBIVBMQSGVOY-UHFFFAOYSA-N
MW367.38 g/mol
LogP3.41
Rot. Bonds6

About 4-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]-N-methylbenzamide

4-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]-N-methylbenzamide (PubChem CID 16598099) has the molecular formula C20H18FN3O3 and a molecular weight of 367.38 g/mol. Its IUPAC name is 4-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]-N-methylbenzamide.

Molecular Properties

Compound Name4-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]-N-methylbenzamide
PubChem CID16598099
Molecular FormulaC20H18FN3O3
Molecular Weight367.38 g/mol
Exact Mass367.13
IUPAC Name4-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(NC(=O)CCc2ncc(-c3ccc(F)cc3)o2)cc1
InChIInChI=1S/C20H18FN3O3/c1-22-20(26)14-4-8-16(9-5-14)24-18(25)10-11-19-23-12-17(27-19)13-2-6-15(21)7-3-13/h2-9,12H,10-11H2,1H3,(H,22,26)(H,24,25)
InChIKeyJKPBIVBMQSGVOY-UHFFFAOYSA-N
XLogP3.41
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.38
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-4-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]benzamide
CID 55802153
N-(3,4-dichlorophenyl)-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 16590384
N-(4-butan-2-ylphenyl)-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 16592021
N-[4-[2-(methylamino)-2-oxoethyl]phenyl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 38404443
N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 30257663
3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-(3-methoxyphenyl)propanamide
CID 17437982
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-(4-methylphenyl)propanamide
CID 16590390
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 41293283
3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-(2-methylphenyl)propanamide
CID 16590316
3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-[4-(morpholin-4-ylmethyl)phenyl]propanamide
CID 78834702
3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide
CID 30886674
3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-(5-methyl-1,3-thiazol-2-yl)propanamide
CID 16593744

Frequently Asked Questions

What is the IUPAC name of 4-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]-N-methylbenzamide?
The IUPAC name of 4-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]-N-methylbenzamide (CID 16598099) is 4-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]-N-methylbenzamide.
What is the SMILES notation for 4-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]-N-methylbenzamide?
The canonical SMILES for 4-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]-N-methylbenzamide is CNC(=O)c1ccc(NC(=O)CCc2ncc(-c3ccc(F)cc3)o2)cc1.
What is the InChIKey of 4-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]-N-methylbenzamide?
The InChIKey is JKPBIVBMQSGVOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O3/c1-22-20(26)14-4-8-16(9-5-14)24-18(25)10-11-19-23-12-17(27-19)13-2-6-15(21)7-3-13/h2-9,12H,10-11H2,1H3,(H,22,26)(H,24,25).
What are the key properties of 4-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]-N-methylbenzamide?
4-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]-N-methylbenzamide has a molecular weight of 367.38 g/mol, XLogP of 3.41, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]-N-methylbenzamide is sourced from PubChem (CID 16598099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).