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

C12H8N2O2 — CID 54199953

IUPAC3-(1,3-oxazol-2-ylmethylidene)-1H-indol-2-one
SMILESO=C1Nc2ccccc2C1=Cc1ncco1
InChIInChI=1S/C12H8N2O2/c15-12-9(7-11-13-5-6-16-11)8-3-1-2-4-10(8)14-12/h1-7H,(H,14,15)
InChIKeyPOMZSSDHWKFMMN-UHFFFAOYSA-N
MW212.21 g/mol
LogP2.17
Rot. Bonds1

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

3-(1,3-oxazol-2-ylmethylidene)-1H-indol-2-one (PubChem CID 54199953) has the molecular formula C12H8N2O2 and a molecular weight of 212.21 g/mol. Its IUPAC name is 3-(1,3-oxazol-2-ylmethylidene)-1H-indol-2-one.

Molecular Properties

Compound Name3-(1,3-oxazol-2-ylmethylidene)-1H-indol-2-one
PubChem CID54199953
Molecular FormulaC12H8N2O2
Molecular Weight212.21 g/mol
Exact Mass212.06
IUPAC Name3-(1,3-oxazol-2-ylmethylidene)-1H-indol-2-one
SMILESO=C1Nc2ccccc2C1=Cc1ncco1
InChIInChI=1S/C12H8N2O2/c15-12-9(7-11-13-5-6-16-11)8-3-1-2-4-10(8)14-12/h1-7H,(H,14,15)
InChIKeyPOMZSSDHWKFMMN-UHFFFAOYSA-N
XLogP2.17
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 52.17
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-benzoxazol-2-ylmethylidene)-1H-indol-2-one
CID 78015919
(3E)-3-(1H-imidazol-5-ylmethylidene)-1H-indol-2-one
CID 6419833
(3E)-3-[(2-phenyl-1H-imidazol-5-yl)methylidene]-1H-indol-2-one
CID 6270282
CID 57369962
CID 57369962
(3E)-3-(1H-pyrrolo[3,2-b]pyridin-3-ylmethylidene)-1H-indol-2-one
CID 67591615
(3E)-3-[(3-pyridin-3-ylphenyl)methylidene]-1H-indol-2-one
CID 166225937
(3E)-3-[(2-bromophenyl)methylidene]-1H-indol-2-one
CID 47102912
(3Z)-3-[(4-chlorophenyl)methylidene]-1H-indol-2-one
CID 5398219
3-[(4-ethoxyphenyl)methylidene]-1H-indol-2-one
CID 2803146
3-[2-(1,2-thiazol-5-yl)ethylidene]-1H-indol-2-one
CID 70121084
(3E)-3-[(4-oxochromen-3-yl)methylidene]-1H-indol-2-one
CID 2360379
3-(azulen-1-ylmethylidene)-1H-indol-2-one
CID 57390079

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-oxazol-2-ylmethylidene)-1H-indol-2-one?
The IUPAC name of 3-(1,3-oxazol-2-ylmethylidene)-1H-indol-2-one (CID 54199953) is 3-(1,3-oxazol-2-ylmethylidene)-1H-indol-2-one.
What is the SMILES notation for 3-(1,3-oxazol-2-ylmethylidene)-1H-indol-2-one?
The canonical SMILES for 3-(1,3-oxazol-2-ylmethylidene)-1H-indol-2-one is O=C1Nc2ccccc2C1=Cc1ncco1.
What is the InChIKey of 3-(1,3-oxazol-2-ylmethylidene)-1H-indol-2-one?
The InChIKey is POMZSSDHWKFMMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2O2/c15-12-9(7-11-13-5-6-16-11)8-3-1-2-4-10(8)14-12/h1-7H,(H,14,15).
What are the key properties of 3-(1,3-oxazol-2-ylmethylidene)-1H-indol-2-one?
3-(1,3-oxazol-2-ylmethylidene)-1H-indol-2-one has a molecular weight of 212.21 g/mol, XLogP of 2.17, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-oxazol-2-ylmethylidene)-1H-indol-2-one is sourced from PubChem (CID 54199953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).