5-[2-(dimethylamino)acetyl]-N-[(3-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide

C17H19FN4O3 — CID 97407311

IUPAC5-[2-(dimethylamino)acetyl]-N-[(3-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide
SMILESCN(C)CC(=O)N1Cc2nc(C(=O)NCc3cccc(F)c3)oc2C1
InChIInChI=1S/C17H19FN4O3/c1-21(2)10-15(23)22-8-13-14(9-22)25-17(20-13)16(24)19-7-11-4-3-5-12(18)6-11/h3-6H,7-10H2,1-2H3,(H,19,24)
InChIKeyVSYVHOODBQHXSF-UHFFFAOYSA-N
MW346.36 g/mol
LogP1.15
Rot. Bonds5

About 5-[2-(dimethylamino)acetyl]-N-[(3-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide

5-[2-(dimethylamino)acetyl]-N-[(3-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide (PubChem CID 97407311) has the molecular formula C17H19FN4O3 and a molecular weight of 346.36 g/mol. Its IUPAC name is 5-[2-(dimethylamino)acetyl]-N-[(3-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide.

Molecular Properties

Compound Name5-[2-(dimethylamino)acetyl]-N-[(3-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide
PubChem CID97407311
Molecular FormulaC17H19FN4O3
Molecular Weight346.36 g/mol
Exact Mass346.14
IUPAC Name5-[2-(dimethylamino)acetyl]-N-[(3-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide
SMILESCN(C)CC(=O)N1Cc2nc(C(=O)NCc3cccc(F)c3)oc2C1
InChIInChI=1S/C17H19FN4O3/c1-21(2)10-15(23)22-8-13-14(9-22)25-17(20-13)16(24)19-7-11-4-3-5-12(18)6-11/h3-6H,7-10H2,1-2H3,(H,19,24)
InChIKeyVSYVHOODBQHXSF-UHFFFAOYSA-N
XLogP1.15
TPSA78.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.36
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(dimethylamino)acetyl]-N-[(3-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide?
The IUPAC name of 5-[2-(dimethylamino)acetyl]-N-[(3-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide (CID 97407311) is 5-[2-(dimethylamino)acetyl]-N-[(3-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide.
What is the SMILES notation for 5-[2-(dimethylamino)acetyl]-N-[(3-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide?
The canonical SMILES for 5-[2-(dimethylamino)acetyl]-N-[(3-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide is CN(C)CC(=O)N1Cc2nc(C(=O)NCc3cccc(F)c3)oc2C1.
What is the InChIKey of 5-[2-(dimethylamino)acetyl]-N-[(3-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide?
The InChIKey is VSYVHOODBQHXSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O3/c1-21(2)10-15(23)22-8-13-14(9-22)25-17(20-13)16(24)19-7-11-4-3-5-12(18)6-11/h3-6H,7-10H2,1-2H3,(H,19,24).
What are the key properties of 5-[2-(dimethylamino)acetyl]-N-[(3-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide?
5-[2-(dimethylamino)acetyl]-N-[(3-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide has a molecular weight of 346.36 g/mol, XLogP of 1.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(dimethylamino)acetyl]-N-[(3-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide is sourced from PubChem (CID 97407311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).