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

C17H19F2N3O3 — CID 17454120

IUPAC3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide
SMILESCC(C)NC(=O)CNC(=O)CCc1ncc(-c2ccc(F)cc2F)o1
InChIInChI=1S/C17H19F2N3O3/c1-10(2)22-16(24)9-20-15(23)5-6-17-21-8-14(25-17)12-4-3-11(18)7-13(12)19/h3-4,7-8,10H,5-6,9H2,1-2H3,(H,20,23)(H,22,24)
InChIKeyJIQWFLJEVFBBEN-UHFFFAOYSA-N
MW351.35 g/mol
LogP2.19
Rot. Bonds7

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

3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide (PubChem CID 17454120) 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-(propan-2-ylamino)ethyl]propanamide.

Molecular Properties

Compound Name3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide
PubChem CID17454120
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-(propan-2-ylamino)ethyl]propanamide
SMILESCC(C)NC(=O)CNC(=O)CCc1ncc(-c2ccc(F)cc2F)o1
InChIInChI=1S/C17H19F2N3O3/c1-10(2)22-16(24)9-20-15(23)5-6-17-21-8-14(25-17)12-4-3-11(18)7-13(12)19/h3-4,7-8,10H,5-6,9H2,1-2H3,(H,20,23)(H,22,24)
InChIKeyJIQWFLJEVFBBEN-UHFFFAOYSA-N
XLogP2.19
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
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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Frequently Asked Questions

What is the IUPAC name of 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide?
The IUPAC name of 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide (CID 17454120) is 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide.
What is the SMILES notation for 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide?
The canonical SMILES for 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide is CC(C)NC(=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-(propan-2-ylamino)ethyl]propanamide?
The InChIKey is JIQWFLJEVFBBEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2N3O3/c1-10(2)22-16(24)9-20-15(23)5-6-17-21-8-14(25-17)12-4-3-11(18)7-13(12)19/h3-4,7-8,10H,5-6,9H2,1-2H3,(H,20,23)(H,22,24).
What are the key properties of 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide?
3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide has a molecular weight of 351.35 g/mol, XLogP of 2.19, 7 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-(propan-2-ylamino)ethyl]propanamide is sourced from PubChem (CID 17454120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).