3-(2-chlorophenyl)-5-[(4-methoxyphenyl)methyl]-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione

C19H15ClN2O4 — CID 4886115

IUPAC3-(2-chlorophenyl)-5-[(4-methoxyphenyl)methyl]-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione
SMILESCOc1ccc(CN2C(=O)C3ON=C(c4ccccc4Cl)C3C2=O)cc1
InChIInChI=1S/C19H15ClN2O4/c1-25-12-8-6-11(7-9-12)10-22-18(23)15-16(21-26-17(15)19(22)24)13-4-2-3-5-14(13)20/h2-9,15,17H,10H2,1H3
InChIKeyFKBBHBYQYCDFRH-UHFFFAOYSA-N
MW370.79 g/mol
LogP2.64
Rot. Bonds4

About 3-(2-chlorophenyl)-5-[(4-methoxyphenyl)methyl]-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione

3-(2-chlorophenyl)-5-[(4-methoxyphenyl)methyl]-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione (PubChem CID 4886115) has the molecular formula C19H15ClN2O4 and a molecular weight of 370.79 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-5-[(4-methoxyphenyl)methyl]-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione.

Molecular Properties

Compound Name3-(2-chlorophenyl)-5-[(4-methoxyphenyl)methyl]-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione
PubChem CID4886115
Molecular FormulaC19H15ClN2O4
Molecular Weight370.79 g/mol
Exact Mass370.07
IUPAC Name3-(2-chlorophenyl)-5-[(4-methoxyphenyl)methyl]-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione
SMILESCOc1ccc(CN2C(=O)C3ON=C(c4ccccc4Cl)C3C2=O)cc1
InChIInChI=1S/C19H15ClN2O4/c1-25-12-8-6-11(7-9-12)10-22-18(23)15-16(21-26-17(15)19(22)24)13-4-2-3-5-14(13)20/h2-9,15,17H,10H2,1H3
InChIKeyFKBBHBYQYCDFRH-UHFFFAOYSA-N
XLogP2.64
TPSA68.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.79
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-5-[(4-methoxyphenyl)methyl]-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione?
The IUPAC name of 3-(2-chlorophenyl)-5-[(4-methoxyphenyl)methyl]-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione (CID 4886115) is 3-(2-chlorophenyl)-5-[(4-methoxyphenyl)methyl]-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione.
What is the SMILES notation for 3-(2-chlorophenyl)-5-[(4-methoxyphenyl)methyl]-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione?
The canonical SMILES for 3-(2-chlorophenyl)-5-[(4-methoxyphenyl)methyl]-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione is COc1ccc(CN2C(=O)C3ON=C(c4ccccc4Cl)C3C2=O)cc1.
What is the InChIKey of 3-(2-chlorophenyl)-5-[(4-methoxyphenyl)methyl]-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione?
The InChIKey is FKBBHBYQYCDFRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN2O4/c1-25-12-8-6-11(7-9-12)10-22-18(23)15-16(21-26-17(15)19(22)24)13-4-2-3-5-14(13)20/h2-9,15,17H,10H2,1H3.
What are the key properties of 3-(2-chlorophenyl)-5-[(4-methoxyphenyl)methyl]-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione?
3-(2-chlorophenyl)-5-[(4-methoxyphenyl)methyl]-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione has a molecular weight of 370.79 g/mol, XLogP of 2.64, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-5-[(4-methoxyphenyl)methyl]-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione is sourced from PubChem (CID 4886115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).