(4Z)-4-[(6-chloro-4-oxochromen-3-yl)methylidene]-3-phenyl-1,2-oxazol-5-one

C19H10ClNO4 — CID 10641700

IUPAC(4Z)-4-[(6-chloro-4-oxochromen-3-yl)methylidene]-3-phenyl-1,2-oxazol-5-one
SMILESO=C1ON=C(c2ccccc2)/C1=C/c1coc2ccc(Cl)cc2c1=O
InChIInChI=1S/C19H10ClNO4/c20-13-6-7-16-14(9-13)18(22)12(10-24-16)8-15-17(21-25-19(15)23)11-4-2-1-3-5-11/h1-10H/b15-8-
InChIKeyMZYCXPFBCUBDGS-NVNXTCNLSA-N
MW351.75 g/mol
LogP3.79
Rot. Bonds2

About (4Z)-4-[(6-chloro-4-oxochromen-3-yl)methylidene]-3-phenyl-1,2-oxazol-5-one

(4Z)-4-[(6-chloro-4-oxochromen-3-yl)methylidene]-3-phenyl-1,2-oxazol-5-one (PubChem CID 10641700) has the molecular formula C19H10ClNO4 and a molecular weight of 351.75 g/mol. Its IUPAC name is (4Z)-4-[(6-chloro-4-oxochromen-3-yl)methylidene]-3-phenyl-1,2-oxazol-5-one.

Molecular Properties

Compound Name(4Z)-4-[(6-chloro-4-oxochromen-3-yl)methylidene]-3-phenyl-1,2-oxazol-5-one
PubChem CID10641700
Molecular FormulaC19H10ClNO4
Molecular Weight351.75 g/mol
Exact Mass351.03
IUPAC Name(4Z)-4-[(6-chloro-4-oxochromen-3-yl)methylidene]-3-phenyl-1,2-oxazol-5-one
SMILESO=C1ON=C(c2ccccc2)/C1=C/c1coc2ccc(Cl)cc2c1=O
InChIInChI=1S/C19H10ClNO4/c20-13-6-7-16-14(9-13)18(22)12(10-24-16)8-15-17(21-25-19(15)23)11-4-2-1-3-5-11/h1-10H/b15-8-
InChIKeyMZYCXPFBCUBDGS-NVNXTCNLSA-N
XLogP3.79
TPSA68.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.75
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_A(201)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}

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Related Compounds

(4Z)-4-[(6-chloro-4-oxochromen-3-yl)methylidene]-5-methyl-2-phenylpyrazol-3-one
CID 6040723
4-[(2-chlorophenyl)methylidene]-3-phenyl-1,2-oxazol-5-one
CID 171131683
(4Z)-4-[[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methylidene]-3-phenyl-1,2-oxazol-5-one
CID 126087138
(4E)-4-benzylidene-3-(4-chlorophenyl)-1,2-oxazol-5-one
CID 678394
(4Z)-4-[(6-bromo-4-oxochromen-3-yl)methylidene]-3-methyl-1,2-oxazol-5-one
CID 10496906
(4Z)-4-[[3,5-dibromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]-3-phenyl-1,2-oxazol-5-one
CID 126092910
4-[(2,6-dichlorophenyl)methylidene]-3-phenyl-1,2-oxazol-5-one
CID 2726243
3-(4-chlorophenyl)-4-[(4-chlorophenyl)methylidene]-1,2-oxazol-5-one
CID 171131858
(4E)-4-[[5-(2,4-dichlorophenyl)furan-2-yl]methylidene]-3-phenyl-1,2-oxazol-5-one
CID 2301381
4-[(2,5-dimethylphenyl)methylidene]-3-phenyl-1,2-oxazol-5-one
CID 3344955
(4E)-4-[(6-chloro-4-oxochromen-3-yl)methylidene]-2-naphthalen-1-yl-1,3-oxazol-5-one
CID 6990824
(4Z)-4-[(6-chloro-4-oxochromen-3-yl)methylidene]-2-naphthalen-1-yl-1,3-oxazol-5-one
CID 6139074

Frequently Asked Questions

What is the IUPAC name of (4Z)-4-[(6-chloro-4-oxochromen-3-yl)methylidene]-3-phenyl-1,2-oxazol-5-one?
The IUPAC name of (4Z)-4-[(6-chloro-4-oxochromen-3-yl)methylidene]-3-phenyl-1,2-oxazol-5-one (CID 10641700) is (4Z)-4-[(6-chloro-4-oxochromen-3-yl)methylidene]-3-phenyl-1,2-oxazol-5-one.
What is the SMILES notation for (4Z)-4-[(6-chloro-4-oxochromen-3-yl)methylidene]-3-phenyl-1,2-oxazol-5-one?
The canonical SMILES for (4Z)-4-[(6-chloro-4-oxochromen-3-yl)methylidene]-3-phenyl-1,2-oxazol-5-one is O=C1ON=C(c2ccccc2)/C1=C/c1coc2ccc(Cl)cc2c1=O.
What is the InChIKey of (4Z)-4-[(6-chloro-4-oxochromen-3-yl)methylidene]-3-phenyl-1,2-oxazol-5-one?
The InChIKey is MZYCXPFBCUBDGS-NVNXTCNLSA-N. The full InChI is InChI=1S/C19H10ClNO4/c20-13-6-7-16-14(9-13)18(22)12(10-24-16)8-15-17(21-25-19(15)23)11-4-2-1-3-5-11/h1-10H/b15-8-.
What are the key properties of (4Z)-4-[(6-chloro-4-oxochromen-3-yl)methylidene]-3-phenyl-1,2-oxazol-5-one?
(4Z)-4-[(6-chloro-4-oxochromen-3-yl)methylidene]-3-phenyl-1,2-oxazol-5-one has a molecular weight of 351.75 g/mol, XLogP of 3.79, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-[(6-chloro-4-oxochromen-3-yl)methylidene]-3-phenyl-1,2-oxazol-5-one is sourced from PubChem (CID 10641700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).