(1R)-N-[1-(3-methyl-1,2-oxazol-4-yl)ethenyl]-1,2,3,4-tetrahydronaphthalen-1-amine

C16H18N2O — CID 174193617

IUPAC(1R)-N-[1-(3-methyl-1,2-oxazol-4-yl)ethenyl]-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESC=C(N[C@@H]1CCCc2ccccc21)c1conc1C
InChIInChI=1S/C16H18N2O/c1-11(15-10-19-18-12(15)2)17-16-9-5-7-13-6-3-4-8-14(13)16/h3-4,6,8,10,16-17H,1,5,7,9H2,2H3/t16-/m1/s1
InChIKeyRDBSPAICFMLHTM-MRXNPFEDSA-N
MW254.33 g/mol
LogP3.62
Rot. Bonds3

About (1R)-N-[1-(3-methyl-1,2-oxazol-4-yl)ethenyl]-1,2,3,4-tetrahydronaphthalen-1-amine

(1R)-N-[1-(3-methyl-1,2-oxazol-4-yl)ethenyl]-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 174193617) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is (1R)-N-[1-(3-methyl-1,2-oxazol-4-yl)ethenyl]-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name(1R)-N-[1-(3-methyl-1,2-oxazol-4-yl)ethenyl]-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID174193617
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name(1R)-N-[1-(3-methyl-1,2-oxazol-4-yl)ethenyl]-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESC=C(N[C@@H]1CCCc2ccccc21)c1conc1C
InChIInChI=1S/C16H18N2O/c1-11(15-10-19-18-12(15)2)17-16-9-5-7-13-6-3-4-8-14(13)16/h3-4,6,8,10,16-17H,1,5,7,9H2,2H3/t16-/m1/s1
InChIKeyRDBSPAICFMLHTM-MRXNPFEDSA-N
XLogP3.62
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R)-N-[1-(3-methyl-1,2-oxazol-4-yl)ethenyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of (1R)-N-[1-(3-methyl-1,2-oxazol-4-yl)ethenyl]-1,2,3,4-tetrahydronaphthalen-1-amine (CID 174193617) is (1R)-N-[1-(3-methyl-1,2-oxazol-4-yl)ethenyl]-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for (1R)-N-[1-(3-methyl-1,2-oxazol-4-yl)ethenyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for (1R)-N-[1-(3-methyl-1,2-oxazol-4-yl)ethenyl]-1,2,3,4-tetrahydronaphthalen-1-amine is C=C(N[C@@H]1CCCc2ccccc21)c1conc1C.
What is the InChIKey of (1R)-N-[1-(3-methyl-1,2-oxazol-4-yl)ethenyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is RDBSPAICFMLHTM-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H18N2O/c1-11(15-10-19-18-12(15)2)17-16-9-5-7-13-6-3-4-8-14(13)16/h3-4,6,8,10,16-17H,1,5,7,9H2,2H3/t16-/m1/s1.
What are the key properties of (1R)-N-[1-(3-methyl-1,2-oxazol-4-yl)ethenyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
(1R)-N-[1-(3-methyl-1,2-oxazol-4-yl)ethenyl]-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 254.33 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[1-(3-methyl-1,2-oxazol-4-yl)ethenyl]-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 174193617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).