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

C18H20FN5O3 — CID 154994334

IUPAC2-[5-[(3S)-3-fluoro-3-methylpyrrolidine-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)N5CC[C@](C)(F)C5)[nH]c43)[nH]c2C1=O
InChIInChI=1S/C18H20FN5O3/c1-18(19)3-4-23(8-18)16(25)11-6-12-15(20-11)24(9-27-12)13-5-10-7-22(2)17(26)14(10)21-13/h5-6,20-21H,3-4,7-9H2,1-2H3/t18-/m0/s1
InChIKeyWZLSAFCRBVOBRC-SFHVURJKSA-N
MW373.39 g/mol
LogP1.99
Rot. Bonds2

About 2-[5-[(3S)-3-fluoro-3-methylpyrrolidine-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-[(3S)-3-fluoro-3-methylpyrrolidine-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 154994334) has the molecular formula C18H20FN5O3 and a molecular weight of 373.39 g/mol. Its IUPAC name is 2-[5-[(3S)-3-fluoro-3-methylpyrrolidine-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-[(3S)-3-fluoro-3-methylpyrrolidine-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 CID154994334
Molecular FormulaC18H20FN5O3
Molecular Weight373.39 g/mol
Exact Mass373.16
IUPAC Name2-[5-[(3S)-3-fluoro-3-methylpyrrolidine-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)N5CC[C@](C)(F)C5)[nH]c43)[nH]c2C1=O
InChIInChI=1S/C18H20FN5O3/c1-18(19)3-4-23(8-18)16(25)11-6-12-15(20-11)24(9-27-12)13-5-10-7-22(2)17(26)14(10)21-13/h5-6,20-21H,3-4,7-9H2,1-2H3/t18-/m0/s1
InChIKeyWZLSAFCRBVOBRC-SFHVURJKSA-N
XLogP1.99
TPSA84.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.39
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[5-[(3S)-3-fluoro-3-methylpyrrolidine-1-carbonyl]-2,4-dihydropyrrolo[2,3-d][1,3]oxazol-3-yl]-5-methyl-1,4-dihydropyrrolo[3,4-b]pyrrol-6-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[(3S)-3-fluoro-3-methylpyrrolidine-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-[(3S)-3-fluoro-3-methylpyrrolidine-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 154994334) is 2-[5-[(3S)-3-fluoro-3-methylpyrrolidine-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-[(3S)-3-fluoro-3-methylpyrrolidine-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-[(3S)-3-fluoro-3-methylpyrrolidine-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)N5CC[C@](C)(F)C5)[nH]c43)[nH]c2C1=O.
What is the InChIKey of 2-[5-[(3S)-3-fluoro-3-methylpyrrolidine-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 WZLSAFCRBVOBRC-SFHVURJKSA-N. The full InChI is InChI=1S/C18H20FN5O3/c1-18(19)3-4-23(8-18)16(25)11-6-12-15(20-11)24(9-27-12)13-5-10-7-22(2)17(26)14(10)21-13/h5-6,20-21H,3-4,7-9H2,1-2H3/t18-/m0/s1.
What are the key properties of 2-[5-[(3S)-3-fluoro-3-methylpyrrolidine-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-[(3S)-3-fluoro-3-methylpyrrolidine-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 373.39 g/mol, XLogP of 1.99, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(3S)-3-fluoro-3-methylpyrrolidine-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 154994334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).