4,7-difluoro-2-[(5-phenylfuro[2,3-d][1,3]oxazol-2-yl)methylidene]indene-1,3-dione

C21H9F2NO4 — CID 168735740

IUPAC4,7-difluoro-2-[(5-phenylfuro[2,3-d][1,3]oxazol-2-yl)methylidene]indene-1,3-dione
SMILESO=C1C(=Cc2nc3oc(-c4ccccc4)cc3o2)C(=O)c2c(F)ccc(F)c21
InChIInChI=1S/C21H9F2NO4/c22-12-6-7-13(23)18-17(12)19(25)11(20(18)26)8-16-24-21-15(27-16)9-14(28-21)10-4-2-1-3-5-10/h1-9H
InChIKeyKUUNJPCHTFPEQQ-UHFFFAOYSA-N
MW377.30 g/mol
LogP4.83
Rot. Bonds2

About 4,7-difluoro-2-[(5-phenylfuro[2,3-d][1,3]oxazol-2-yl)methylidene]indene-1,3-dione

4,7-difluoro-2-[(5-phenylfuro[2,3-d][1,3]oxazol-2-yl)methylidene]indene-1,3-dione (PubChem CID 168735740) has the molecular formula C21H9F2NO4 and a molecular weight of 377.30 g/mol. Its IUPAC name is 4,7-difluoro-2-[(5-phenylfuro[2,3-d][1,3]oxazol-2-yl)methylidene]indene-1,3-dione.

Molecular Properties

Compound Name4,7-difluoro-2-[(5-phenylfuro[2,3-d][1,3]oxazol-2-yl)methylidene]indene-1,3-dione
PubChem CID168735740
Molecular FormulaC21H9F2NO4
Molecular Weight377.30 g/mol
Exact Mass377.05
IUPAC Name4,7-difluoro-2-[(5-phenylfuro[2,3-d][1,3]oxazol-2-yl)methylidene]indene-1,3-dione
SMILESO=C1C(=Cc2nc3oc(-c4ccccc4)cc3o2)C(=O)c2c(F)ccc(F)c21
InChIInChI=1S/C21H9F2NO4/c22-12-6-7-13(23)18-17(12)19(25)11(20(18)26)8-16-24-21-15(27-16)9-14(28-21)10-4-2-1-3-5-10/h1-9H
InChIKeyKUUNJPCHTFPEQQ-UHFFFAOYSA-N
XLogP4.83
TPSA73.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.30
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_one_A(55)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

Analyze 4,7-difluoro-2-[(5-phenylfuro[2,3-d][1,3]oxazol-2-yl)methylidene]indene-1,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4,7-dichloro-2-[(5-phenylfuro[2,3-d][1,3]oxazol-2-yl)methylidene]indene-1,3-dione
CID 168735426
(3Z)-3-[(5-phenylfuro[2,3-d][1,3]oxazol-2-yl)methylidene]benzo[g]chromene-2,4-dione
CID 168735929
2-[(5-naphthalen-2-ylfuro[2,3-d][1,3]oxazol-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione
CID 168735574
(2E)-1,1-dioxo-2-[(5-phenylfuro[2,3-d][1,3]oxazol-2-yl)methylidene]-1-benzothiophen-3-one
CID 168736305
2-[[5-(4-isocyanophenyl)furo[2,3-d][1,3]oxazol-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione
CID 168736329
4,7-dichloro-2-[(5-phenylthieno[2,3-d][1,3]oxazol-2-yl)methylidene]indene-1,3-dione
CID 168735835
2-[[5-(2,3,4,5,6-pentafluorophenyl)-[1,3]oxazolo[5,4-d][1,3]oxazol-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione
CID 168735642
2-[(1,5-diphenylthieno[2,3-d]imidazol-2-yl)methylidene]-4,7-difluoroindene-1,3-dione
CID 168736136
(2Z)-4,6-difluoro-5,7-dimethyl-2-[(2-phenylthieno[2,3-d][1,3]oxazol-5-yl)methylidene]indene-1,3-dione
CID 170174510
2-[[5-phenyl-1-(4-phenylphenyl)furo[2,3-d]imidazol-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione
CID 168735658
2-[(5-phenyl-[1,3]thiazolo[5,4-d][1,3]oxazol-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione
CID 168736092
7-chloro-3-phenylisochromen-1-one
CID 62706099

Frequently Asked Questions

What is the IUPAC name of 4,7-difluoro-2-[(5-phenylfuro[2,3-d][1,3]oxazol-2-yl)methylidene]indene-1,3-dione?
The IUPAC name of 4,7-difluoro-2-[(5-phenylfuro[2,3-d][1,3]oxazol-2-yl)methylidene]indene-1,3-dione (CID 168735740) is 4,7-difluoro-2-[(5-phenylfuro[2,3-d][1,3]oxazol-2-yl)methylidene]indene-1,3-dione.
What is the SMILES notation for 4,7-difluoro-2-[(5-phenylfuro[2,3-d][1,3]oxazol-2-yl)methylidene]indene-1,3-dione?
The canonical SMILES for 4,7-difluoro-2-[(5-phenylfuro[2,3-d][1,3]oxazol-2-yl)methylidene]indene-1,3-dione is O=C1C(=Cc2nc3oc(-c4ccccc4)cc3o2)C(=O)c2c(F)ccc(F)c21.
What is the InChIKey of 4,7-difluoro-2-[(5-phenylfuro[2,3-d][1,3]oxazol-2-yl)methylidene]indene-1,3-dione?
The InChIKey is KUUNJPCHTFPEQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H9F2NO4/c22-12-6-7-13(23)18-17(12)19(25)11(20(18)26)8-16-24-21-15(27-16)9-14(28-21)10-4-2-1-3-5-10/h1-9H.
What are the key properties of 4,7-difluoro-2-[(5-phenylfuro[2,3-d][1,3]oxazol-2-yl)methylidene]indene-1,3-dione?
4,7-difluoro-2-[(5-phenylfuro[2,3-d][1,3]oxazol-2-yl)methylidene]indene-1,3-dione has a molecular weight of 377.30 g/mol, XLogP of 4.83, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-difluoro-2-[(5-phenylfuro[2,3-d][1,3]oxazol-2-yl)methylidene]indene-1,3-dione is sourced from PubChem (CID 168735740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).