(2R)-8-(3,5-dimethyl-1,2-oxazol-4-yl)-1,2,3,4-tetrahydronaphthalen-2-amine

C15H18N2O — CID 25114259

IUPAC(2R)-8-(3,5-dimethyl-1,2-oxazol-4-yl)-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCc1noc(C)c1-c1cccc2c1C[C@H](N)CC2
InChIInChI=1S/C15H18N2O/c1-9-15(10(2)18-17-9)13-5-3-4-11-6-7-12(16)8-14(11)13/h3-5,12H,6-8,16H2,1-2H3/t12-/m1/s1
InChIKeyIBIHZQBOXFQITK-GFCCVEGCSA-N
MW242.32 g/mol
LogP2.77
Rot. Bonds1

About (2R)-8-(3,5-dimethyl-1,2-oxazol-4-yl)-1,2,3,4-tetrahydronaphthalen-2-amine

(2R)-8-(3,5-dimethyl-1,2-oxazol-4-yl)-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 25114259) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is (2R)-8-(3,5-dimethyl-1,2-oxazol-4-yl)-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound Name(2R)-8-(3,5-dimethyl-1,2-oxazol-4-yl)-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID25114259
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name(2R)-8-(3,5-dimethyl-1,2-oxazol-4-yl)-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCc1noc(C)c1-c1cccc2c1C[C@H](N)CC2
InChIInChI=1S/C15H18N2O/c1-9-15(10(2)18-17-9)13-5-3-4-11-6-7-12(16)8-14(11)13/h3-5,12H,6-8,16H2,1-2H3/t12-/m1/s1
InChIKeyIBIHZQBOXFQITK-GFCCVEGCSA-N
XLogP2.77
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-8-(3,5-dimethyl-1,2-oxazol-4-yl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of (2R)-8-(3,5-dimethyl-1,2-oxazol-4-yl)-1,2,3,4-tetrahydronaphthalen-2-amine (CID 25114259) is (2R)-8-(3,5-dimethyl-1,2-oxazol-4-yl)-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for (2R)-8-(3,5-dimethyl-1,2-oxazol-4-yl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for (2R)-8-(3,5-dimethyl-1,2-oxazol-4-yl)-1,2,3,4-tetrahydronaphthalen-2-amine is Cc1noc(C)c1-c1cccc2c1C[C@H](N)CC2.
What is the InChIKey of (2R)-8-(3,5-dimethyl-1,2-oxazol-4-yl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is IBIHZQBOXFQITK-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H18N2O/c1-9-15(10(2)18-17-9)13-5-3-4-11-6-7-12(16)8-14(11)13/h3-5,12H,6-8,16H2,1-2H3/t12-/m1/s1.
What are the key properties of (2R)-8-(3,5-dimethyl-1,2-oxazol-4-yl)-1,2,3,4-tetrahydronaphthalen-2-amine?
(2R)-8-(3,5-dimethyl-1,2-oxazol-4-yl)-1,2,3,4-tetrahydronaphthalen-2-amine has a molecular weight of 242.32 g/mol, XLogP of 2.77, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-8-(3,5-dimethyl-1,2-oxazol-4-yl)-1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 25114259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).