4-(indol-3-ylidenemethyl)-3-methyl-2H-1,2-oxazol-5-one

C13H10N2O2 — CID 27868285

IUPAC4-(indol-3-ylidenemethyl)-3-methyl-2H-1,2-oxazol-5-one
SMILESCc1[nH]oc(=O)c1C=C1C=Nc2ccccc21
InChIInChI=1S/C13H10N2O2/c1-8-11(13(16)17-15-8)6-9-7-14-12-5-3-2-4-10(9)12/h2-7,15H,1H3
InChIKeyJBJMHEYZPDDRFW-UHFFFAOYSA-N
MW226.24 g/mol
LogP2.53
Rot. Bonds1

About 4-(indol-3-ylidenemethyl)-3-methyl-2H-1,2-oxazol-5-one

4-(indol-3-ylidenemethyl)-3-methyl-2H-1,2-oxazol-5-one (PubChem CID 27868285) has the molecular formula C13H10N2O2 and a molecular weight of 226.24 g/mol. Its IUPAC name is 4-(indol-3-ylidenemethyl)-3-methyl-2H-1,2-oxazol-5-one.

Molecular Properties

Compound Name4-(indol-3-ylidenemethyl)-3-methyl-2H-1,2-oxazol-5-one
PubChem CID27868285
Molecular FormulaC13H10N2O2
Molecular Weight226.24 g/mol
Exact Mass226.07
IUPAC Name4-(indol-3-ylidenemethyl)-3-methyl-2H-1,2-oxazol-5-one
SMILESCc1[nH]oc(=O)c1C=C1C=Nc2ccccc21
InChIInChI=1S/C13H10N2O2/c1-8-11(13(16)17-15-8)6-9-7-14-12-5-3-2-4-10(9)12/h2-7,15H,1H3
InChIKeyJBJMHEYZPDDRFW-UHFFFAOYSA-N
XLogP2.53
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(indol-3-ylidenemethyl)-3-methyl-2H-1,2-oxazol-5-one?
The IUPAC name of 4-(indol-3-ylidenemethyl)-3-methyl-2H-1,2-oxazol-5-one (CID 27868285) is 4-(indol-3-ylidenemethyl)-3-methyl-2H-1,2-oxazol-5-one.
What is the SMILES notation for 4-(indol-3-ylidenemethyl)-3-methyl-2H-1,2-oxazol-5-one?
The canonical SMILES for 4-(indol-3-ylidenemethyl)-3-methyl-2H-1,2-oxazol-5-one is Cc1[nH]oc(=O)c1C=C1C=Nc2ccccc21.
What is the InChIKey of 4-(indol-3-ylidenemethyl)-3-methyl-2H-1,2-oxazol-5-one?
The InChIKey is JBJMHEYZPDDRFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O2/c1-8-11(13(16)17-15-8)6-9-7-14-12-5-3-2-4-10(9)12/h2-7,15H,1H3.
What are the key properties of 4-(indol-3-ylidenemethyl)-3-methyl-2H-1,2-oxazol-5-one?
4-(indol-3-ylidenemethyl)-3-methyl-2H-1,2-oxazol-5-one has a molecular weight of 226.24 g/mol, XLogP of 2.53, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(indol-3-ylidenemethyl)-3-methyl-2H-1,2-oxazol-5-one is sourced from PubChem (CID 27868285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).