(1R)-N-(1,3-benzoxazol-2-ylmethyl)-N-methyl-1-thiophen-2-ylethanamine

C15H16N2OS — CID 94489500

IUPAC(1R)-N-(1,3-benzoxazol-2-ylmethyl)-N-methyl-1-thiophen-2-ylethanamine
SMILESC[C@H](c1cccs1)N(C)Cc1nc2ccccc2o1
InChIInChI=1S/C15H16N2OS/c1-11(14-8-5-9-19-14)17(2)10-15-16-12-6-3-4-7-13(12)18-15/h3-9,11H,10H2,1-2H3/t11-/m1/s1
InChIKeyVFXAMCVTCHUEIO-LLVKDONJSA-N
MW272.37 g/mol
LogP4.08
Rot. Bonds4

About (1R)-N-(1,3-benzoxazol-2-ylmethyl)-N-methyl-1-thiophen-2-ylethanamine

(1R)-N-(1,3-benzoxazol-2-ylmethyl)-N-methyl-1-thiophen-2-ylethanamine (PubChem CID 94489500) has the molecular formula C15H16N2OS and a molecular weight of 272.37 g/mol. Its IUPAC name is (1R)-N-(1,3-benzoxazol-2-ylmethyl)-N-methyl-1-thiophen-2-ylethanamine.

Molecular Properties

Compound Name(1R)-N-(1,3-benzoxazol-2-ylmethyl)-N-methyl-1-thiophen-2-ylethanamine
PubChem CID94489500
Molecular FormulaC15H16N2OS
Molecular Weight272.37 g/mol
Exact Mass272.10
IUPAC Name(1R)-N-(1,3-benzoxazol-2-ylmethyl)-N-methyl-1-thiophen-2-ylethanamine
SMILESC[C@H](c1cccs1)N(C)Cc1nc2ccccc2o1
InChIInChI=1S/C15H16N2OS/c1-11(14-8-5-9-19-14)17(2)10-15-16-12-6-3-4-7-13(12)18-15/h3-9,11H,10H2,1-2H3/t11-/m1/s1
InChIKeyVFXAMCVTCHUEIO-LLVKDONJSA-N
XLogP4.08
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[methyl(1-thiophen-2-ylethyl)amino]methyl]-1,3-benzoxazol-6-amine
CID 79996148
(1R)-1-(1,3-benzothiazol-2-yl)-N-(1,3-benzoxazol-2-ylmethyl)-N-methylethanamine
CID 9048703
N-methyl-1-thiophen-2-yl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]ethanamine
CID 78827467
2-[5-[[methyl(1-thiophen-2-ylethyl)amino]methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride
CID 119930333
N-(1,3-benzoxazol-2-ylmethyl)-1-(4-fluorophenyl)-N-methyl-1-phenylmethanamine
CID 18144888
(1S)-N-methyl-N-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-1-thiophen-2-ylethanamine
CID 42379215
N-[[5-(aminomethyl)furan-2-yl]methyl]-N-methyl-1-thiophen-2-ylethanamine
CID 62431529
N-(1,3-benzoxazol-2-ylmethyl)-1-(5-bromothiophen-2-yl)-N-methylmethanamine
CID 18094955
N-(1,3-benzoxazol-2-ylmethyl)-2-(5-chlorothiophen-2-yl)-N-methylpropanamide
CID 75385673
2-ethyl-1,3-benzoxazole
CID 23239
N-[[2-(aminomethyl)phenyl]methyl]-N-methyl-1-thiophen-2-ylethanamine
CID 54980749
1-(1,3-benzoxazol-2-yl)-5-thiophen-2-ylpentan-2-ol
CID 66460663

Frequently Asked Questions

What is the IUPAC name of (1R)-N-(1,3-benzoxazol-2-ylmethyl)-N-methyl-1-thiophen-2-ylethanamine?
The IUPAC name of (1R)-N-(1,3-benzoxazol-2-ylmethyl)-N-methyl-1-thiophen-2-ylethanamine (CID 94489500) is (1R)-N-(1,3-benzoxazol-2-ylmethyl)-N-methyl-1-thiophen-2-ylethanamine.
What is the SMILES notation for (1R)-N-(1,3-benzoxazol-2-ylmethyl)-N-methyl-1-thiophen-2-ylethanamine?
The canonical SMILES for (1R)-N-(1,3-benzoxazol-2-ylmethyl)-N-methyl-1-thiophen-2-ylethanamine is C[C@H](c1cccs1)N(C)Cc1nc2ccccc2o1.
What is the InChIKey of (1R)-N-(1,3-benzoxazol-2-ylmethyl)-N-methyl-1-thiophen-2-ylethanamine?
The InChIKey is VFXAMCVTCHUEIO-LLVKDONJSA-N. The full InChI is InChI=1S/C15H16N2OS/c1-11(14-8-5-9-19-14)17(2)10-15-16-12-6-3-4-7-13(12)18-15/h3-9,11H,10H2,1-2H3/t11-/m1/s1.
What are the key properties of (1R)-N-(1,3-benzoxazol-2-ylmethyl)-N-methyl-1-thiophen-2-ylethanamine?
(1R)-N-(1,3-benzoxazol-2-ylmethyl)-N-methyl-1-thiophen-2-ylethanamine has a molecular weight of 272.37 g/mol, XLogP of 4.08, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-(1,3-benzoxazol-2-ylmethyl)-N-methyl-1-thiophen-2-ylethanamine is sourced from PubChem (CID 94489500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).