3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[2-oxo-2-(propylamino)ethyl]propanamide

C17H19F2N3O3 — CID 18162891

IUPAC3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[2-oxo-2-(propylamino)ethyl]propanamide
SMILESCCCNC(=O)CNC(=O)CCc1ncc(-c2ccc(F)cc2F)o1
InChIInChI=1S/C17H19F2N3O3/c1-2-7-20-16(24)10-21-15(23)5-6-17-22-9-14(25-17)12-4-3-11(18)8-13(12)19/h3-4,8-9H,2,5-7,10H2,1H3,(H,20,24)(H,21,23)
InChIKeyKBWFSYHUWUMLBR-UHFFFAOYSA-N
MW351.35 g/mol
LogP2.19
Rot. Bonds8

About 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[2-oxo-2-(propylamino)ethyl]propanamide

3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[2-oxo-2-(propylamino)ethyl]propanamide (PubChem CID 18162891) has the molecular formula C17H19F2N3O3 and a molecular weight of 351.35 g/mol. Its IUPAC name is 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[2-oxo-2-(propylamino)ethyl]propanamide.

Molecular Properties

Compound Name3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[2-oxo-2-(propylamino)ethyl]propanamide
PubChem CID18162891
Molecular FormulaC17H19F2N3O3
Molecular Weight351.35 g/mol
Exact Mass351.14
IUPAC Name3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[2-oxo-2-(propylamino)ethyl]propanamide
SMILESCCCNC(=O)CNC(=O)CCc1ncc(-c2ccc(F)cc2F)o1
InChIInChI=1S/C17H19F2N3O3/c1-2-7-20-16(24)10-21-15(23)5-6-17-22-9-14(25-17)12-4-3-11(18)8-13(12)19/h3-4,8-9H,2,5-7,10H2,1H3,(H,20,24)(H,21,23)
InChIKeyKBWFSYHUWUMLBR-UHFFFAOYSA-N
XLogP2.19
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.35
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminoethyl)-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 119383503
3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[2-(methylamino)ethyl]propanamide;dihydrochloride
CID 119501785
3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]propanamide
CID 87043584
3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]propanamide
CID 55707139
N-[2-(1-adamantyl)ethyl]-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 18267949
3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[(4-methoxyphenyl)methyl]propanamide
CID 16596736
3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[(3-methylthiophen-2-yl)methyl]propanamide
CID 32990182
3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[[2-(ethoxymethyl)phenyl]methyl]propanamide
CID 37397863
3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[1-(4-ethylphenyl)ethyl]propanamide
CID 134036413
methyl 2-[3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoylamino]-2-methylbutanoate
CID 47089695
3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 25475952
N-(3,5-dichlorophenyl)-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 16590665

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[2-oxo-2-(propylamino)ethyl]propanamide?
The IUPAC name of 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[2-oxo-2-(propylamino)ethyl]propanamide (CID 18162891) is 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[2-oxo-2-(propylamino)ethyl]propanamide.
What is the SMILES notation for 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[2-oxo-2-(propylamino)ethyl]propanamide?
The canonical SMILES for 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[2-oxo-2-(propylamino)ethyl]propanamide is CCCNC(=O)CNC(=O)CCc1ncc(-c2ccc(F)cc2F)o1.
What is the InChIKey of 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[2-oxo-2-(propylamino)ethyl]propanamide?
The InChIKey is KBWFSYHUWUMLBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2N3O3/c1-2-7-20-16(24)10-21-15(23)5-6-17-22-9-14(25-17)12-4-3-11(18)8-13(12)19/h3-4,8-9H,2,5-7,10H2,1H3,(H,20,24)(H,21,23).
What are the key properties of 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[2-oxo-2-(propylamino)ethyl]propanamide?
3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[2-oxo-2-(propylamino)ethyl]propanamide has a molecular weight of 351.35 g/mol, XLogP of 2.19, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[2-oxo-2-(propylamino)ethyl]propanamide is sourced from PubChem (CID 18162891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).