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

C16H20N2O2 — CID 65454409

IUPACN-methyl-5-[(5-methyl-1,2-oxazol-3-yl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCNC1CCCc2c(OCc3cc(C)on3)cccc21
InChIInChI=1S/C16H20N2O2/c1-11-9-12(18-20-11)10-19-16-8-4-5-13-14(16)6-3-7-15(13)17-2/h4-5,8-9,15,17H,3,6-7,10H2,1-2H3
InChIKeyMRGPFZWXXFEUOU-UHFFFAOYSA-N
MW272.35 g/mol
LogP3.16
Rot. Bonds4

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

N-methyl-5-[(5-methyl-1,2-oxazol-3-yl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 65454409) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is N-methyl-5-[(5-methyl-1,2-oxazol-3-yl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound NameN-methyl-5-[(5-methyl-1,2-oxazol-3-yl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID65454409
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC NameN-methyl-5-[(5-methyl-1,2-oxazol-3-yl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCNC1CCCc2c(OCc3cc(C)on3)cccc21
InChIInChI=1S/C16H20N2O2/c1-11-9-12(18-20-11)10-19-16-8-4-5-13-14(16)6-3-7-15(13)17-2/h4-5,8-9,15,17H,3,6-7,10H2,1-2H3
InChIKeyMRGPFZWXXFEUOU-UHFFFAOYSA-N
XLogP3.16
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-5-[(5-methyl-1,2-oxazol-3-yl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of N-methyl-5-[(5-methyl-1,2-oxazol-3-yl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-amine (CID 65454409) is N-methyl-5-[(5-methyl-1,2-oxazol-3-yl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for N-methyl-5-[(5-methyl-1,2-oxazol-3-yl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for N-methyl-5-[(5-methyl-1,2-oxazol-3-yl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-amine is CNC1CCCc2c(OCc3cc(C)on3)cccc21.
What is the InChIKey of N-methyl-5-[(5-methyl-1,2-oxazol-3-yl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is MRGPFZWXXFEUOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-11-9-12(18-20-11)10-19-16-8-4-5-13-14(16)6-3-7-15(13)17-2/h4-5,8-9,15,17H,3,6-7,10H2,1-2H3.
What are the key properties of N-methyl-5-[(5-methyl-1,2-oxazol-3-yl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-amine?
N-methyl-5-[(5-methyl-1,2-oxazol-3-yl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 272.35 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-[(5-methyl-1,2-oxazol-3-yl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 65454409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).