3-(1,3-benzoxazol-2-ylmethylidene)-1H-indol-2-one

C16H10N2O2 — CID 78015919

IUPAC3-(1,3-benzoxazol-2-ylmethylidene)-1H-indol-2-one
SMILESO=C1Nc2ccccc2C1=Cc1nc2ccccc2o1
InChIInChI=1S/C16H10N2O2/c19-16-11(10-5-1-2-6-12(10)18-16)9-15-17-13-7-3-4-8-14(13)20-15/h1-9H,(H,18,19)
InChIKeyHYPLRIRPOXFGDB-UHFFFAOYSA-N
MW262.27 g/mol
LogP3.32
Rot. Bonds1

About 3-(1,3-benzoxazol-2-ylmethylidene)-1H-indol-2-one

3-(1,3-benzoxazol-2-ylmethylidene)-1H-indol-2-one (PubChem CID 78015919) has the molecular formula C16H10N2O2 and a molecular weight of 262.27 g/mol. Its IUPAC name is 3-(1,3-benzoxazol-2-ylmethylidene)-1H-indol-2-one.

Molecular Properties

Compound Name3-(1,3-benzoxazol-2-ylmethylidene)-1H-indol-2-one
PubChem CID78015919
Molecular FormulaC16H10N2O2
Molecular Weight262.27 g/mol
Exact Mass262.07
IUPAC Name3-(1,3-benzoxazol-2-ylmethylidene)-1H-indol-2-one
SMILESO=C1Nc2ccccc2C1=Cc1nc2ccccc2o1
InChIInChI=1S/C16H10N2O2/c19-16-11(10-5-1-2-6-12(10)18-16)9-15-17-13-7-3-4-8-14(13)20-15/h1-9H,(H,18,19)
InChIKeyHYPLRIRPOXFGDB-UHFFFAOYSA-N
XLogP3.32
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(1,3-oxazol-2-ylmethylidene)-1H-indol-2-one
CID 54199953
3-[[4-[5-[(2-oxo-1H-indol-3-ylidene)methyl]-1,3-benzoxazol-2-yl]phenyl]methylidene]-1H-indol-2-one
CID 76839926
2-[(Z)-3H-1,3-benzoxazol-2-ylidenemethyl]-1,3-benzoxazole
CID 12074272
(3E)-3-[(1-methylbenzimidazol-2-yl)methylidene]-1H-indol-2-one
CID 137292411
3-(azulen-1-ylmethylidene)-1H-indol-2-one
CID 57390079
(3E)-3-[(4-oxochromen-3-yl)methylidene]-1H-indol-2-one
CID 2360379
(Z)-3-(1,3-benzoxazol-2-yl)-2-hydroxyprop-2-enoic acid
CID 135435078
CID 57369962
CID 57369962
(3E)-3-[(1-propan-2-ylbenzimidazol-2-yl)methylidene]-1H-indol-2-one
CID 137290242
(3E)-3-(1H-imidazol-5-ylmethylidene)-1H-indol-2-one
CID 6419833
3-[(4-chlorocinnolin-3-yl)methylidene]-1H-indol-2-one
CID 162818774
(3Z)-3-[(4-chlorophenyl)methylidene]-1H-indol-2-one
CID 5398219

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzoxazol-2-ylmethylidene)-1H-indol-2-one?
The IUPAC name of 3-(1,3-benzoxazol-2-ylmethylidene)-1H-indol-2-one (CID 78015919) is 3-(1,3-benzoxazol-2-ylmethylidene)-1H-indol-2-one.
What is the SMILES notation for 3-(1,3-benzoxazol-2-ylmethylidene)-1H-indol-2-one?
The canonical SMILES for 3-(1,3-benzoxazol-2-ylmethylidene)-1H-indol-2-one is O=C1Nc2ccccc2C1=Cc1nc2ccccc2o1.
What is the InChIKey of 3-(1,3-benzoxazol-2-ylmethylidene)-1H-indol-2-one?
The InChIKey is HYPLRIRPOXFGDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N2O2/c19-16-11(10-5-1-2-6-12(10)18-16)9-15-17-13-7-3-4-8-14(13)20-15/h1-9H,(H,18,19).
What are the key properties of 3-(1,3-benzoxazol-2-ylmethylidene)-1H-indol-2-one?
3-(1,3-benzoxazol-2-ylmethylidene)-1H-indol-2-one has a molecular weight of 262.27 g/mol, XLogP of 3.32, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzoxazol-2-ylmethylidene)-1H-indol-2-one is sourced from PubChem (CID 78015919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).