N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine

C16H20N2O — CID 134793481

IUPACN-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCc1cc(CN(C)C2CCCc3ccccc32)no1
InChIInChI=1S/C16H20N2O/c1-12-10-14(17-19-12)11-18(2)16-9-5-7-13-6-3-4-8-15(13)16/h3-4,6,8,10,16H,5,7,9,11H2,1-2H3
InChIKeyVWFYBVVUOVTMEW-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.49
Rot. Bonds3

About N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine

N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 134793481) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound NameN-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID134793481
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC NameN-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCc1cc(CN(C)C2CCCc3ccccc32)no1
InChIInChI=1S/C16H20N2O/c1-12-10-14(17-19-12)11-18(2)16-9-5-7-13-6-3-4-8-15(13)16/h3-4,6,8,10,16H,5,7,9,11H2,1-2H3
InChIKeyVWFYBVVUOVTMEW-UHFFFAOYSA-N
XLogP3.49
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine (CID 134793481) is N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine is Cc1cc(CN(C)C2CCCc3ccccc32)no1.
What is the InChIKey of N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is VWFYBVVUOVTMEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-12-10-14(17-19-12)11-18(2)16-9-5-7-13-6-3-4-8-15(13)16/h3-4,6,8,10,16H,5,7,9,11H2,1-2H3.
What are the key properties of N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 256.35 g/mol, XLogP of 3.49, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 134793481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).