(3Z)-3-[(2,4-diphenylimidazo[4,5-d][1,3]oxazol-5-yl)methylidene]benzo[g]chromene-2,4-dione

C30H17N3O4 — CID 168736101

IUPAC(3Z)-3-[(2,4-diphenylimidazo[4,5-d][1,3]oxazol-5-yl)methylidene]benzo[g]chromene-2,4-dione
SMILESO=C1Oc2cc3ccccc3cc2C(=O)/C1=C/c1nc2oc(-c3ccccc3)nc2n1-c1ccccc1
InChIInChI=1S/C30H17N3O4/c34-26-22-15-19-11-7-8-12-20(19)16-24(22)36-30(35)23(26)17-25-31-29-27(33(25)21-13-5-2-6-14-21)32-28(37-29)18-9-3-1-4-10-18/h1-17H/b23-17-
InChIKeyYBHUOBHVQGQSPJ-QJOMJCCJSA-N
MW483.48 g/mol
LogP6.02
Rot. Bonds3

About (3Z)-3-[(2,4-diphenylimidazo[4,5-d][1,3]oxazol-5-yl)methylidene]benzo[g]chromene-2,4-dione

(3Z)-3-[(2,4-diphenylimidazo[4,5-d][1,3]oxazol-5-yl)methylidene]benzo[g]chromene-2,4-dione (PubChem CID 168736101) has the molecular formula C30H17N3O4 and a molecular weight of 483.48 g/mol. Its IUPAC name is (3Z)-3-[(2,4-diphenylimidazo[4,5-d][1,3]oxazol-5-yl)methylidene]benzo[g]chromene-2,4-dione.

Molecular Properties

Compound Name(3Z)-3-[(2,4-diphenylimidazo[4,5-d][1,3]oxazol-5-yl)methylidene]benzo[g]chromene-2,4-dione
PubChem CID168736101
Molecular FormulaC30H17N3O4
Molecular Weight483.48 g/mol
Exact Mass483.12
IUPAC Name(3Z)-3-[(2,4-diphenylimidazo[4,5-d][1,3]oxazol-5-yl)methylidene]benzo[g]chromene-2,4-dione
SMILESO=C1Oc2cc3ccccc3cc2C(=O)/C1=C/c1nc2oc(-c3ccccc3)nc2n1-c1ccccc1
InChIInChI=1S/C30H17N3O4/c34-26-22-15-19-11-7-8-12-20(19)16-24(22)36-30(35)23(26)17-25-31-29-27(33(25)21-13-5-2-6-14-21)32-28(37-29)18-9-3-1-4-10-18/h1-17H/b23-17-
InChIKeyYBHUOBHVQGQSPJ-QJOMJCCJSA-N
XLogP6.02
TPSA87.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.48
LogP ≤ 56.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[(2,4-diphenylimidazo[4,5-d][1,3]oxazol-5-yl)methylidene]benzo[g]chromene-2,4-dione?
The IUPAC name of (3Z)-3-[(2,4-diphenylimidazo[4,5-d][1,3]oxazol-5-yl)methylidene]benzo[g]chromene-2,4-dione (CID 168736101) is (3Z)-3-[(2,4-diphenylimidazo[4,5-d][1,3]oxazol-5-yl)methylidene]benzo[g]chromene-2,4-dione.
What is the SMILES notation for (3Z)-3-[(2,4-diphenylimidazo[4,5-d][1,3]oxazol-5-yl)methylidene]benzo[g]chromene-2,4-dione?
The canonical SMILES for (3Z)-3-[(2,4-diphenylimidazo[4,5-d][1,3]oxazol-5-yl)methylidene]benzo[g]chromene-2,4-dione is O=C1Oc2cc3ccccc3cc2C(=O)/C1=C/c1nc2oc(-c3ccccc3)nc2n1-c1ccccc1.
What is the InChIKey of (3Z)-3-[(2,4-diphenylimidazo[4,5-d][1,3]oxazol-5-yl)methylidene]benzo[g]chromene-2,4-dione?
The InChIKey is YBHUOBHVQGQSPJ-QJOMJCCJSA-N. The full InChI is InChI=1S/C30H17N3O4/c34-26-22-15-19-11-7-8-12-20(19)16-24(22)36-30(35)23(26)17-25-31-29-27(33(25)21-13-5-2-6-14-21)32-28(37-29)18-9-3-1-4-10-18/h1-17H/b23-17-.
What are the key properties of (3Z)-3-[(2,4-diphenylimidazo[4,5-d][1,3]oxazol-5-yl)methylidene]benzo[g]chromene-2,4-dione?
(3Z)-3-[(2,4-diphenylimidazo[4,5-d][1,3]oxazol-5-yl)methylidene]benzo[g]chromene-2,4-dione has a molecular weight of 483.48 g/mol, XLogP of 6.02, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[(2,4-diphenylimidazo[4,5-d][1,3]oxazol-5-yl)methylidene]benzo[g]chromene-2,4-dione is sourced from PubChem (CID 168736101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).