1-[3-(1,3-benzoxazol-2-ylmethoxy)phenyl]-N-methylmethanamine

C16H16N2O2 — CID 106486021

IUPAC1-[3-(1,3-benzoxazol-2-ylmethoxy)phenyl]-N-methylmethanamine
SMILESCNCc1cccc(OCc2nc3ccccc3o2)c1
InChIInChI=1S/C16H16N2O2/c1-17-10-12-5-4-6-13(9-12)19-11-16-18-14-7-2-3-8-15(14)20-16/h2-9,17H,10-11H2,1H3
InChIKeyUJKOPUJTPAQELB-UHFFFAOYSA-N
MW268.32 g/mol
LogP3.13
Rot. Bonds5

About 1-[3-(1,3-benzoxazol-2-ylmethoxy)phenyl]-N-methylmethanamine

1-[3-(1,3-benzoxazol-2-ylmethoxy)phenyl]-N-methylmethanamine (PubChem CID 106486021) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is 1-[3-(1,3-benzoxazol-2-ylmethoxy)phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-(1,3-benzoxazol-2-ylmethoxy)phenyl]-N-methylmethanamine
PubChem CID106486021
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name1-[3-(1,3-benzoxazol-2-ylmethoxy)phenyl]-N-methylmethanamine
SMILESCNCc1cccc(OCc2nc3ccccc3o2)c1
InChIInChI=1S/C16H16N2O2/c1-17-10-12-5-4-6-13(9-12)19-11-16-18-14-7-2-3-8-15(14)20-16/h2-9,17H,10-11H2,1H3
InChIKeyUJKOPUJTPAQELB-UHFFFAOYSA-N
XLogP3.13
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(1,3-benzoxazol-2-ylmethoxy)phenyl]acetic acid
CID 61398083
3-(1,3-benzoxazol-2-ylmethoxy)benzonitrile
CID 47118122
N-methyl-1-[3-[(2-methylphenyl)methoxy]phenyl]methanamine
CID 19744687
N-[[2-(phenoxymethyl)-1,3-benzoxazol-6-yl]methyl]ethanamine
CID 82357531
N-methyl-1-[3-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methanamine
CID 61495346
4-(1,3-benzoxazol-2-ylmethoxy)aniline
CID 54908622
2-[(4-phenylphenoxy)methyl]-1,3-benzoxazole
CID 4963555
7-(1,3-benzoxazol-2-ylmethoxy)-4-ethylchromen-2-one
CID 9354998
N-methyl-1-[3-[(6-methyl-2-pyridinyl)methoxy]phenyl]methanamine
CID 79268111
N-methyl-1-[3-[(5-methylfuran-2-yl)methoxy]phenyl]methanamine
CID 106486033
[4-(1,3-benzoxazol-2-ylmethoxy)-2-chlorophenyl] N-methylcarbamate
CID 139798240
1-[3-[(5-bromofuran-2-yl)methoxy]phenyl]-N-methylmethanamine
CID 106485972

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1,3-benzoxazol-2-ylmethoxy)phenyl]-N-methylmethanamine?
The IUPAC name of 1-[3-(1,3-benzoxazol-2-ylmethoxy)phenyl]-N-methylmethanamine (CID 106486021) is 1-[3-(1,3-benzoxazol-2-ylmethoxy)phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-(1,3-benzoxazol-2-ylmethoxy)phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[3-(1,3-benzoxazol-2-ylmethoxy)phenyl]-N-methylmethanamine is CNCc1cccc(OCc2nc3ccccc3o2)c1.
What is the InChIKey of 1-[3-(1,3-benzoxazol-2-ylmethoxy)phenyl]-N-methylmethanamine?
The InChIKey is UJKOPUJTPAQELB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c1-17-10-12-5-4-6-13(9-12)19-11-16-18-14-7-2-3-8-15(14)20-16/h2-9,17H,10-11H2,1H3.
What are the key properties of 1-[3-(1,3-benzoxazol-2-ylmethoxy)phenyl]-N-methylmethanamine?
1-[3-(1,3-benzoxazol-2-ylmethoxy)phenyl]-N-methylmethanamine has a molecular weight of 268.32 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1,3-benzoxazol-2-ylmethoxy)phenyl]-N-methylmethanamine is sourced from PubChem (CID 106486021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).