3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-1,2-oxazol-4-amine

C14H16N2O2 — CID 139770479

IUPAC3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-1,2-oxazol-4-amine
SMILESCOc1cccc2c1CCC(c1nocc1N)C2
InChIInChI=1S/C14H16N2O2/c1-17-13-4-2-3-9-7-10(5-6-11(9)13)14-12(15)8-18-16-14/h2-4,8,10H,5-7,15H2,1H3
InChIKeyXQZRHOCBXVEMLT-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.54
Rot. Bonds2

About 3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-1,2-oxazol-4-amine

3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-1,2-oxazol-4-amine (PubChem CID 139770479) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-1,2-oxazol-4-amine.

Molecular Properties

Compound Name3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-1,2-oxazol-4-amine
PubChem CID139770479
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-1,2-oxazol-4-amine
SMILESCOc1cccc2c1CCC(c1nocc1N)C2
InChIInChI=1S/C14H16N2O2/c1-17-13-4-2-3-9-7-10(5-6-11(9)13)14-12(15)8-18-16-14/h2-4,8,10H,5-7,15H2,1H3
InChIKeyXQZRHOCBXVEMLT-UHFFFAOYSA-N
XLogP2.54
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-1,2-oxazol-4-amine?
The IUPAC name of 3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-1,2-oxazol-4-amine (CID 139770479) is 3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-1,2-oxazol-4-amine.
What is the SMILES notation for 3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-1,2-oxazol-4-amine?
The canonical SMILES for 3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-1,2-oxazol-4-amine is COc1cccc2c1CCC(c1nocc1N)C2.
What is the InChIKey of 3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-1,2-oxazol-4-amine?
The InChIKey is XQZRHOCBXVEMLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-17-13-4-2-3-9-7-10(5-6-11(9)13)14-12(15)8-18-16-14/h2-4,8,10H,5-7,15H2,1H3.
What are the key properties of 3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-1,2-oxazol-4-amine?
3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-1,2-oxazol-4-amine has a molecular weight of 244.29 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-1,2-oxazol-4-amine is sourced from PubChem (CID 139770479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).