1-[6-(4-amino-1,2-oxazol-3-yl)-5,6,7,8-tetrahydronaphthalen-1-yl]ethanone

C15H16N2O2 — CID 139770437

IUPAC1-[6-(4-amino-1,2-oxazol-3-yl)-5,6,7,8-tetrahydronaphthalen-1-yl]ethanone
SMILESCC(=O)c1cccc2c1CCC(c1nocc1N)C2
InChIInChI=1S/C15H16N2O2/c1-9(18)12-4-2-3-10-7-11(5-6-13(10)12)15-14(16)8-19-17-15/h2-4,8,11H,5-7,16H2,1H3
InChIKeyLWACQMCVXRQZDC-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.73
Rot. Bonds2

About 1-[6-(4-amino-1,2-oxazol-3-yl)-5,6,7,8-tetrahydronaphthalen-1-yl]ethanone

1-[6-(4-amino-1,2-oxazol-3-yl)-5,6,7,8-tetrahydronaphthalen-1-yl]ethanone (PubChem CID 139770437) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is 1-[6-(4-amino-1,2-oxazol-3-yl)-5,6,7,8-tetrahydronaphthalen-1-yl]ethanone.

Molecular Properties

Compound Name1-[6-(4-amino-1,2-oxazol-3-yl)-5,6,7,8-tetrahydronaphthalen-1-yl]ethanone
PubChem CID139770437
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Name1-[6-(4-amino-1,2-oxazol-3-yl)-5,6,7,8-tetrahydronaphthalen-1-yl]ethanone
SMILESCC(=O)c1cccc2c1CCC(c1nocc1N)C2
InChIInChI=1S/C15H16N2O2/c1-9(18)12-4-2-3-10-7-11(5-6-13(10)12)15-14(16)8-19-17-15/h2-4,8,11H,5-7,16H2,1H3
InChIKeyLWACQMCVXRQZDC-UHFFFAOYSA-N
XLogP2.73
TPSA69.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[6-(4-amino-1,2-oxazol-3-yl)-5,6,7,8-tetrahydronaphthalen-1-yl]ethanone with MolForge

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Related Compounds

methyl 7-(4-amino-1,2-oxazol-3-yl)-5,6,7,8-tetrahydronaphthalene-1-carboxylate
CID 139770444
3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-1,2-oxazol-4-amine
CID 139770479
3-(1,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl)-1,2-oxazol-4-amine
CID 139770585
3-(1-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)-1,2-oxazol-4-amine
CID 139770709
1-(3-amino-2-trimethylsilyloxyphenyl)ethanone
CID 167720132
5-amino-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
CID 105444904
5,6,7,8-tetrahydronaphthalene-1,6-diamine
CID 14836578
N-[(6R)-6-amino-5,6,7,8-tetrahydronaphthalen-1-yl]acetamide;hydrochloride
CID 18650731
5-amino-3-(8-chloro-1,2,3,4-tetrahydronaphthalen-2-yl)-1-methylpyrazole-4-carboxamide
CID 144997723
5-amino-3-(5-chloro-1,2,3,4-tetrahydronaphthalen-2-yl)-1-methylpyrazole-4-carboxamide;1-pyrrolidin-1-ylprop-2-en-1-one
CID 144997737
3-(1,6-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl)-1,2-oxazol-4-amine
CID 139770536
3-[3-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-one
CID 65405863

Frequently Asked Questions

What is the IUPAC name of 1-[6-(4-amino-1,2-oxazol-3-yl)-5,6,7,8-tetrahydronaphthalen-1-yl]ethanone?
The IUPAC name of 1-[6-(4-amino-1,2-oxazol-3-yl)-5,6,7,8-tetrahydronaphthalen-1-yl]ethanone (CID 139770437) is 1-[6-(4-amino-1,2-oxazol-3-yl)-5,6,7,8-tetrahydronaphthalen-1-yl]ethanone.
What is the SMILES notation for 1-[6-(4-amino-1,2-oxazol-3-yl)-5,6,7,8-tetrahydronaphthalen-1-yl]ethanone?
The canonical SMILES for 1-[6-(4-amino-1,2-oxazol-3-yl)-5,6,7,8-tetrahydronaphthalen-1-yl]ethanone is CC(=O)c1cccc2c1CCC(c1nocc1N)C2.
What is the InChIKey of 1-[6-(4-amino-1,2-oxazol-3-yl)-5,6,7,8-tetrahydronaphthalen-1-yl]ethanone?
The InChIKey is LWACQMCVXRQZDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-9(18)12-4-2-3-10-7-11(5-6-13(10)12)15-14(16)8-19-17-15/h2-4,8,11H,5-7,16H2,1H3.
What are the key properties of 1-[6-(4-amino-1,2-oxazol-3-yl)-5,6,7,8-tetrahydronaphthalen-1-yl]ethanone?
1-[6-(4-amino-1,2-oxazol-3-yl)-5,6,7,8-tetrahydronaphthalen-1-yl]ethanone has a molecular weight of 256.31 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(4-amino-1,2-oxazol-3-yl)-5,6,7,8-tetrahydronaphthalen-1-yl]ethanone is sourced from PubChem (CID 139770437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).