4,7-dichloro-2-[(2-phenyl-[1,3]thiazolo[5,4-d][1,3]oxazol-5-yl)methylidene]indene-1,3-dione

C20H8Cl2N2O3S — CID 168735479

IUPAC4,7-dichloro-2-[(2-phenyl-[1,3]thiazolo[5,4-d][1,3]oxazol-5-yl)methylidene]indene-1,3-dione
SMILESO=C1C(=Cc2nc3oc(-c4ccccc4)nc3s2)C(=O)c2c(Cl)ccc(Cl)c21
InChIInChI=1S/C20H8Cl2N2O3S/c21-11-6-7-12(22)15-14(11)16(25)10(17(15)26)8-13-23-19-20(28-13)24-18(27-19)9-4-2-1-3-5-9/h1-8H
InChIKeyMAZDZUOBBURDBT-UHFFFAOYSA-N
MW427.27 g/mol
LogP5.72
Rot. Bonds2

About 4,7-dichloro-2-[(2-phenyl-[1,3]thiazolo[5,4-d][1,3]oxazol-5-yl)methylidene]indene-1,3-dione

4,7-dichloro-2-[(2-phenyl-[1,3]thiazolo[5,4-d][1,3]oxazol-5-yl)methylidene]indene-1,3-dione (PubChem CID 168735479) has the molecular formula C20H8Cl2N2O3S and a molecular weight of 427.27 g/mol. Its IUPAC name is 4,7-dichloro-2-[(2-phenyl-[1,3]thiazolo[5,4-d][1,3]oxazol-5-yl)methylidene]indene-1,3-dione.

Molecular Properties

Compound Name4,7-dichloro-2-[(2-phenyl-[1,3]thiazolo[5,4-d][1,3]oxazol-5-yl)methylidene]indene-1,3-dione
PubChem CID168735479
Molecular FormulaC20H8Cl2N2O3S
Molecular Weight427.27 g/mol
Exact Mass425.96
IUPAC Name4,7-dichloro-2-[(2-phenyl-[1,3]thiazolo[5,4-d][1,3]oxazol-5-yl)methylidene]indene-1,3-dione
SMILESO=C1C(=Cc2nc3oc(-c4ccccc4)nc3s2)C(=O)c2c(Cl)ccc(Cl)c21
InChIInChI=1S/C20H8Cl2N2O3S/c21-11-6-7-12(22)15-14(11)16(25)10(17(15)26)8-13-23-19-20(28-13)24-18(27-19)9-4-2-1-3-5-9/h1-8H
InChIKeyMAZDZUOBBURDBT-UHFFFAOYSA-N
XLogP5.72
TPSA73.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.27
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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'}

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Related Compounds

4,7-dichloro-2-[(5-phenylthieno[2,3-d][1,3]oxazol-2-yl)methylidene]indene-1,3-dione
CID 168735835
(2E)-4-chloro-7-methyl-2-[(2-phenylfuro[2,3-d][1,3]thiazol-5-yl)methylidene]indene-1,3-dione
CID 170175240
4,7-dichloro-2-[(5-phenylfuro[2,3-d][1,3]oxazol-2-yl)methylidene]indene-1,3-dione
CID 168735426
(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-[1,3]thiazolo[5,4-d][1,3]oxazol-2-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione
CID 168736092
4,5,6,7-tetrachloro-2-[(4-methyl-5-phenylpyrrolo[2,3-d][1,3]thiazol-2-yl)methylidene]indene-1,3-dione
CID 168735604
(3Z)-3-[(5-phenyl-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl)methylidene]chromene-2,4-dione
CID 168735865
2-[(2-phenyl-4H-imidazo[4,5-d][1,3]oxazol-5-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione
CID 168736087
4,5,6,7-tetrafluoro-2-[(4-methyl-5-phenylpyrrolo[2,3-d][1,3]thiazol-2-yl)methylidene]indene-1,3-dione
CID 168735902
4-chloro-2-phenyl-1,3-oxazol-5-amine
CID 69335141
5-(3-chlorothiophen-2-yl)-2-phenyl-1,3-oxazole-4-carboxylic acid
CID 80644367
2-[[4-(1-benzothiophen-2-yl)-2-phenylimidazo[4,5-d][1,3]oxazol-5-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione
CID 168736113

Frequently Asked Questions

What is the IUPAC name of 4,7-dichloro-2-[(2-phenyl-[1,3]thiazolo[5,4-d][1,3]oxazol-5-yl)methylidene]indene-1,3-dione?
The IUPAC name of 4,7-dichloro-2-[(2-phenyl-[1,3]thiazolo[5,4-d][1,3]oxazol-5-yl)methylidene]indene-1,3-dione (CID 168735479) is 4,7-dichloro-2-[(2-phenyl-[1,3]thiazolo[5,4-d][1,3]oxazol-5-yl)methylidene]indene-1,3-dione.
What is the SMILES notation for 4,7-dichloro-2-[(2-phenyl-[1,3]thiazolo[5,4-d][1,3]oxazol-5-yl)methylidene]indene-1,3-dione?
The canonical SMILES for 4,7-dichloro-2-[(2-phenyl-[1,3]thiazolo[5,4-d][1,3]oxazol-5-yl)methylidene]indene-1,3-dione is O=C1C(=Cc2nc3oc(-c4ccccc4)nc3s2)C(=O)c2c(Cl)ccc(Cl)c21.
What is the InChIKey of 4,7-dichloro-2-[(2-phenyl-[1,3]thiazolo[5,4-d][1,3]oxazol-5-yl)methylidene]indene-1,3-dione?
The InChIKey is MAZDZUOBBURDBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H8Cl2N2O3S/c21-11-6-7-12(22)15-14(11)16(25)10(17(15)26)8-13-23-19-20(28-13)24-18(27-19)9-4-2-1-3-5-9/h1-8H.
What are the key properties of 4,7-dichloro-2-[(2-phenyl-[1,3]thiazolo[5,4-d][1,3]oxazol-5-yl)methylidene]indene-1,3-dione?
4,7-dichloro-2-[(2-phenyl-[1,3]thiazolo[5,4-d][1,3]oxazol-5-yl)methylidene]indene-1,3-dione has a molecular weight of 427.27 g/mol, XLogP of 5.72, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dichloro-2-[(2-phenyl-[1,3]thiazolo[5,4-d][1,3]oxazol-5-yl)methylidene]indene-1,3-dione is sourced from PubChem (CID 168735479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).