2-(2-oxopyrrolidin-1-yl)ethyl 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoate

C18H18F2N2O4 — CID 55485620

IUPAC2-(2-oxopyrrolidin-1-yl)ethyl 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoate
SMILESO=C(CCc1ncc(-c2ccc(F)cc2F)o1)OCCN1CCCC1=O
InChIInChI=1S/C18H18F2N2O4/c19-12-3-4-13(14(20)10-12)15-11-21-16(26-15)5-6-18(24)25-9-8-22-7-1-2-17(22)23/h3-4,10-11H,1-2,5-9H2
InChIKeyQFDHYRKHKFJLOE-UHFFFAOYSA-N
MW364.35 g/mol
LogP2.72
Rot. Bonds7

About 2-(2-oxopyrrolidin-1-yl)ethyl 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoate

2-(2-oxopyrrolidin-1-yl)ethyl 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoate (PubChem CID 55485620) has the molecular formula C18H18F2N2O4 and a molecular weight of 364.35 g/mol. Its IUPAC name is 2-(2-oxopyrrolidin-1-yl)ethyl 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoate.

Molecular Properties

Compound Name2-(2-oxopyrrolidin-1-yl)ethyl 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoate
PubChem CID55485620
Molecular FormulaC18H18F2N2O4
Molecular Weight364.35 g/mol
Exact Mass364.12
IUPAC Name2-(2-oxopyrrolidin-1-yl)ethyl 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoate
SMILESO=C(CCc1ncc(-c2ccc(F)cc2F)o1)OCCN1CCCC1=O
InChIInChI=1S/C18H18F2N2O4/c19-12-3-4-13(14(20)10-12)15-11-21-16(26-15)5-6-18(24)25-9-8-22-7-1-2-17(22)23/h3-4,10-11H,1-2,5-9H2
InChIKeyQFDHYRKHKFJLOE-UHFFFAOYSA-N
XLogP2.72
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.35
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-oxopyrrolidin-1-yl)ethyl 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoate?
The IUPAC name of 2-(2-oxopyrrolidin-1-yl)ethyl 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoate (CID 55485620) is 2-(2-oxopyrrolidin-1-yl)ethyl 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoate.
What is the SMILES notation for 2-(2-oxopyrrolidin-1-yl)ethyl 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoate?
The canonical SMILES for 2-(2-oxopyrrolidin-1-yl)ethyl 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoate is O=C(CCc1ncc(-c2ccc(F)cc2F)o1)OCCN1CCCC1=O.
What is the InChIKey of 2-(2-oxopyrrolidin-1-yl)ethyl 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoate?
The InChIKey is QFDHYRKHKFJLOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N2O4/c19-12-3-4-13(14(20)10-12)15-11-21-16(26-15)5-6-18(24)25-9-8-22-7-1-2-17(22)23/h3-4,10-11H,1-2,5-9H2.
What are the key properties of 2-(2-oxopyrrolidin-1-yl)ethyl 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoate?
2-(2-oxopyrrolidin-1-yl)ethyl 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoate has a molecular weight of 364.35 g/mol, XLogP of 2.72, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxopyrrolidin-1-yl)ethyl 3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoate is sourced from PubChem (CID 55485620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).