5-(4-fluorophenyl)-3-(4-methoxybenzoyl)-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione

C19H13FN2O5 — CID 2753541

IUPAC5-(4-fluorophenyl)-3-(4-methoxybenzoyl)-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione
SMILESCOc1ccc(C(=O)C2=NOC3C(=O)N(c4ccc(F)cc4)C(=O)C23)cc1
InChIInChI=1S/C19H13FN2O5/c1-26-13-8-2-10(3-9-13)16(23)15-14-17(27-21-15)19(25)22(18(14)24)12-6-4-11(20)5-7-12/h2-9,14,17H,1H3
InChIKeyVBGOURWEMQKEQW-UHFFFAOYSA-N
MW368.32 g/mol
LogP1.96
Rot. Bonds4

About 5-(4-fluorophenyl)-3-(4-methoxybenzoyl)-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione

5-(4-fluorophenyl)-3-(4-methoxybenzoyl)-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione (PubChem CID 2753541) has the molecular formula C19H13FN2O5 and a molecular weight of 368.32 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-3-(4-methoxybenzoyl)-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione.

Molecular Properties

Compound Name5-(4-fluorophenyl)-3-(4-methoxybenzoyl)-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione
PubChem CID2753541
Molecular FormulaC19H13FN2O5
Molecular Weight368.32 g/mol
Exact Mass368.08
IUPAC Name5-(4-fluorophenyl)-3-(4-methoxybenzoyl)-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione
SMILESCOc1ccc(C(=O)C2=NOC3C(=O)N(c4ccc(F)cc4)C(=O)C23)cc1
InChIInChI=1S/C19H13FN2O5/c1-26-13-8-2-10(3-9-13)16(23)15-14-17(27-21-15)19(25)22(18(14)24)12-6-4-11(20)5-7-12/h2-9,14,17H,1H3
InChIKeyVBGOURWEMQKEQW-UHFFFAOYSA-N
XLogP1.96
TPSA85.27 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.32
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-3-(4-methoxybenzoyl)-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione?
The IUPAC name of 5-(4-fluorophenyl)-3-(4-methoxybenzoyl)-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione (CID 2753541) is 5-(4-fluorophenyl)-3-(4-methoxybenzoyl)-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione.
What is the SMILES notation for 5-(4-fluorophenyl)-3-(4-methoxybenzoyl)-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione?
The canonical SMILES for 5-(4-fluorophenyl)-3-(4-methoxybenzoyl)-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione is COc1ccc(C(=O)C2=NOC3C(=O)N(c4ccc(F)cc4)C(=O)C23)cc1.
What is the InChIKey of 5-(4-fluorophenyl)-3-(4-methoxybenzoyl)-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione?
The InChIKey is VBGOURWEMQKEQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13FN2O5/c1-26-13-8-2-10(3-9-13)16(23)15-14-17(27-21-15)19(25)22(18(14)24)12-6-4-11(20)5-7-12/h2-9,14,17H,1H3.
What are the key properties of 5-(4-fluorophenyl)-3-(4-methoxybenzoyl)-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione?
5-(4-fluorophenyl)-3-(4-methoxybenzoyl)-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione has a molecular weight of 368.32 g/mol, XLogP of 1.96, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-3-(4-methoxybenzoyl)-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione is sourced from PubChem (CID 2753541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).