3-(4,6-dimethyl-2,3-dihydro-1H-inden-1-yl)-1,2-oxazol-4-amine

C14H16N2O — CID 139770489

IUPAC3-(4,6-dimethyl-2,3-dihydro-1H-inden-1-yl)-1,2-oxazol-4-amine
SMILESCc1cc(C)c2c(c1)C(c1nocc1N)CC2
InChIInChI=1S/C14H16N2O/c1-8-5-9(2)10-3-4-11(12(10)6-8)14-13(15)7-17-16-14/h5-7,11H,3-4,15H2,1-2H3
InChIKeyOCHAWHBKRHTACP-UHFFFAOYSA-N
MW228.29 g/mol
LogP2.95
Rot. Bonds1

About 3-(4,6-dimethyl-2,3-dihydro-1H-inden-1-yl)-1,2-oxazol-4-amine

3-(4,6-dimethyl-2,3-dihydro-1H-inden-1-yl)-1,2-oxazol-4-amine (PubChem CID 139770489) has the molecular formula C14H16N2O and a molecular weight of 228.29 g/mol. Its IUPAC name is 3-(4,6-dimethyl-2,3-dihydro-1H-inden-1-yl)-1,2-oxazol-4-amine.

Molecular Properties

Compound Name3-(4,6-dimethyl-2,3-dihydro-1H-inden-1-yl)-1,2-oxazol-4-amine
PubChem CID139770489
Molecular FormulaC14H16N2O
Molecular Weight228.29 g/mol
Exact Mass228.13
IUPAC Name3-(4,6-dimethyl-2,3-dihydro-1H-inden-1-yl)-1,2-oxazol-4-amine
SMILESCc1cc(C)c2c(c1)C(c1nocc1N)CC2
InChIInChI=1S/C14H16N2O/c1-8-5-9(2)10-3-4-11(12(10)6-8)14-13(15)7-17-16-14/h5-7,11H,3-4,15H2,1-2H3
InChIKeyOCHAWHBKRHTACP-UHFFFAOYSA-N
XLogP2.95
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4,6-dimethyl-2,3-dihydro-1H-inden-1-yl)-1,2-oxazol-4-amine?
The IUPAC name of 3-(4,6-dimethyl-2,3-dihydro-1H-inden-1-yl)-1,2-oxazol-4-amine (CID 139770489) is 3-(4,6-dimethyl-2,3-dihydro-1H-inden-1-yl)-1,2-oxazol-4-amine.
What is the SMILES notation for 3-(4,6-dimethyl-2,3-dihydro-1H-inden-1-yl)-1,2-oxazol-4-amine?
The canonical SMILES for 3-(4,6-dimethyl-2,3-dihydro-1H-inden-1-yl)-1,2-oxazol-4-amine is Cc1cc(C)c2c(c1)C(c1nocc1N)CC2.
What is the InChIKey of 3-(4,6-dimethyl-2,3-dihydro-1H-inden-1-yl)-1,2-oxazol-4-amine?
The InChIKey is OCHAWHBKRHTACP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-8-5-9(2)10-3-4-11(12(10)6-8)14-13(15)7-17-16-14/h5-7,11H,3-4,15H2,1-2H3.
What are the key properties of 3-(4,6-dimethyl-2,3-dihydro-1H-inden-1-yl)-1,2-oxazol-4-amine?
3-(4,6-dimethyl-2,3-dihydro-1H-inden-1-yl)-1,2-oxazol-4-amine has a molecular weight of 228.29 g/mol, XLogP of 2.95, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,6-dimethyl-2,3-dihydro-1H-inden-1-yl)-1,2-oxazol-4-amine is sourced from PubChem (CID 139770489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).