2-[5-(3,3-difluoropyrrolidine-1-carbonyl)-2,4-dihydropyrrolo[2,3-d][1,3]oxazol-3-yl]-5-methyl-1,4-dihydropyrrolo[3,4-b]pyrrol-6-one

C17H17F2N5O3 — CID 154993947

IUPAC2-[5-(3,3-difluoropyrrolidine-1-carbonyl)-2,4-dihydropyrrolo[2,3-d][1,3]oxazol-3-yl]-5-methyl-1,4-dihydropyrrolo[3,4-b]pyrrol-6-one
SMILESCN1Cc2cc(N3COc4cc(C(=O)N5CCC(F)(F)C5)[nH]c43)[nH]c2C1=O
InChIInChI=1S/C17H17F2N5O3/c1-22-6-9-4-12(21-13(9)16(22)26)24-8-27-11-5-10(20-14(11)24)15(25)23-3-2-17(18,19)7-23/h4-5,20-21H,2-3,6-8H2,1H3
InChIKeyRPHWPXRGBMSQOW-UHFFFAOYSA-N
MW377.35 g/mol
LogP1.90
Rot. Bonds2

About 2-[5-(3,3-difluoropyrrolidine-1-carbonyl)-2,4-dihydropyrrolo[2,3-d][1,3]oxazol-3-yl]-5-methyl-1,4-dihydropyrrolo[3,4-b]pyrrol-6-one

2-[5-(3,3-difluoropyrrolidine-1-carbonyl)-2,4-dihydropyrrolo[2,3-d][1,3]oxazol-3-yl]-5-methyl-1,4-dihydropyrrolo[3,4-b]pyrrol-6-one (PubChem CID 154993947) has the molecular formula C17H17F2N5O3 and a molecular weight of 377.35 g/mol. Its IUPAC name is 2-[5-(3,3-difluoropyrrolidine-1-carbonyl)-2,4-dihydropyrrolo[2,3-d][1,3]oxazol-3-yl]-5-methyl-1,4-dihydropyrrolo[3,4-b]pyrrol-6-one.

Molecular Properties

Compound Name2-[5-(3,3-difluoropyrrolidine-1-carbonyl)-2,4-dihydropyrrolo[2,3-d][1,3]oxazol-3-yl]-5-methyl-1,4-dihydropyrrolo[3,4-b]pyrrol-6-one
PubChem CID154993947
Molecular FormulaC17H17F2N5O3
Molecular Weight377.35 g/mol
Exact Mass377.13
IUPAC Name2-[5-(3,3-difluoropyrrolidine-1-carbonyl)-2,4-dihydropyrrolo[2,3-d][1,3]oxazol-3-yl]-5-methyl-1,4-dihydropyrrolo[3,4-b]pyrrol-6-one
SMILESCN1Cc2cc(N3COc4cc(C(=O)N5CCC(F)(F)C5)[nH]c43)[nH]c2C1=O
InChIInChI=1S/C17H17F2N5O3/c1-22-6-9-4-12(21-13(9)16(22)26)24-8-27-11-5-10(20-14(11)24)15(25)23-3-2-17(18,19)7-23/h4-5,20-21H,2-3,6-8H2,1H3
InChIKeyRPHWPXRGBMSQOW-UHFFFAOYSA-N
XLogP1.90
TPSA84.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.35
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(3,3-difluoropyrrolidine-1-carbonyl)-2,4-dihydropyrrolo[2,3-d][1,3]oxazol-3-yl]-5-methyl-1,4-dihydropyrrolo[3,4-b]pyrrol-6-one?
The IUPAC name of 2-[5-(3,3-difluoropyrrolidine-1-carbonyl)-2,4-dihydropyrrolo[2,3-d][1,3]oxazol-3-yl]-5-methyl-1,4-dihydropyrrolo[3,4-b]pyrrol-6-one (CID 154993947) is 2-[5-(3,3-difluoropyrrolidine-1-carbonyl)-2,4-dihydropyrrolo[2,3-d][1,3]oxazol-3-yl]-5-methyl-1,4-dihydropyrrolo[3,4-b]pyrrol-6-one.
What is the SMILES notation for 2-[5-(3,3-difluoropyrrolidine-1-carbonyl)-2,4-dihydropyrrolo[2,3-d][1,3]oxazol-3-yl]-5-methyl-1,4-dihydropyrrolo[3,4-b]pyrrol-6-one?
The canonical SMILES for 2-[5-(3,3-difluoropyrrolidine-1-carbonyl)-2,4-dihydropyrrolo[2,3-d][1,3]oxazol-3-yl]-5-methyl-1,4-dihydropyrrolo[3,4-b]pyrrol-6-one is CN1Cc2cc(N3COc4cc(C(=O)N5CCC(F)(F)C5)[nH]c43)[nH]c2C1=O.
What is the InChIKey of 2-[5-(3,3-difluoropyrrolidine-1-carbonyl)-2,4-dihydropyrrolo[2,3-d][1,3]oxazol-3-yl]-5-methyl-1,4-dihydropyrrolo[3,4-b]pyrrol-6-one?
The InChIKey is RPHWPXRGBMSQOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2N5O3/c1-22-6-9-4-12(21-13(9)16(22)26)24-8-27-11-5-10(20-14(11)24)15(25)23-3-2-17(18,19)7-23/h4-5,20-21H,2-3,6-8H2,1H3.
What are the key properties of 2-[5-(3,3-difluoropyrrolidine-1-carbonyl)-2,4-dihydropyrrolo[2,3-d][1,3]oxazol-3-yl]-5-methyl-1,4-dihydropyrrolo[3,4-b]pyrrol-6-one?
2-[5-(3,3-difluoropyrrolidine-1-carbonyl)-2,4-dihydropyrrolo[2,3-d][1,3]oxazol-3-yl]-5-methyl-1,4-dihydropyrrolo[3,4-b]pyrrol-6-one has a molecular weight of 377.35 g/mol, XLogP of 1.90, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3,3-difluoropyrrolidine-1-carbonyl)-2,4-dihydropyrrolo[2,3-d][1,3]oxazol-3-yl]-5-methyl-1,4-dihydropyrrolo[3,4-b]pyrrol-6-one is sourced from PubChem (CID 154993947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).