6-(3,5-dimethyl-1,2-oxazol-4-yl)-2,3-dihydroinden-1-one

C14H13NO2 — CID 90667395

IUPAC6-(3,5-dimethyl-1,2-oxazol-4-yl)-2,3-dihydroinden-1-one
SMILESCc1noc(C)c1-c1ccc2c(c1)C(=O)CC2
InChIInChI=1S/C14H13NO2/c1-8-14(9(2)17-15-8)11-4-3-10-5-6-13(16)12(10)7-11/h3-4,7H,5-6H2,1-2H3
InChIKeyPBEFYWVVHKTYKA-UHFFFAOYSA-N
MW227.26 g/mol
LogP3.09
Rot. Bonds1

About 6-(3,5-dimethyl-1,2-oxazol-4-yl)-2,3-dihydroinden-1-one

6-(3,5-dimethyl-1,2-oxazol-4-yl)-2,3-dihydroinden-1-one (PubChem CID 90667395) has the molecular formula C14H13NO2 and a molecular weight of 227.26 g/mol. Its IUPAC name is 6-(3,5-dimethyl-1,2-oxazol-4-yl)-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name6-(3,5-dimethyl-1,2-oxazol-4-yl)-2,3-dihydroinden-1-one
PubChem CID90667395
Molecular FormulaC14H13NO2
Molecular Weight227.26 g/mol
Exact Mass227.09
IUPAC Name6-(3,5-dimethyl-1,2-oxazol-4-yl)-2,3-dihydroinden-1-one
SMILESCc1noc(C)c1-c1ccc2c(c1)C(=O)CC2
InChIInChI=1S/C14H13NO2/c1-8-14(9(2)17-15-8)11-4-3-10-5-6-13(16)12(10)7-11/h3-4,7H,5-6H2,1-2H3
InChIKeyPBEFYWVVHKTYKA-UHFFFAOYSA-N
XLogP3.09
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-2,3-dihydroinden-1-one?
The IUPAC name of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-2,3-dihydroinden-1-one (CID 90667395) is 6-(3,5-dimethyl-1,2-oxazol-4-yl)-2,3-dihydroinden-1-one.
What is the SMILES notation for 6-(3,5-dimethyl-1,2-oxazol-4-yl)-2,3-dihydroinden-1-one?
The canonical SMILES for 6-(3,5-dimethyl-1,2-oxazol-4-yl)-2,3-dihydroinden-1-one is Cc1noc(C)c1-c1ccc2c(c1)C(=O)CC2.
What is the InChIKey of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-2,3-dihydroinden-1-one?
The InChIKey is PBEFYWVVHKTYKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO2/c1-8-14(9(2)17-15-8)11-4-3-10-5-6-13(16)12(10)7-11/h3-4,7H,5-6H2,1-2H3.
What are the key properties of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-2,3-dihydroinden-1-one?
6-(3,5-dimethyl-1,2-oxazol-4-yl)-2,3-dihydroinden-1-one has a molecular weight of 227.26 g/mol, XLogP of 3.09, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethyl-1,2-oxazol-4-yl)-2,3-dihydroinden-1-one is sourced from PubChem (CID 90667395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).