1-(1-benzothiophen-3-yl)-N-methyl-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]methanamine

C20H18N2OS — CID 60500829

IUPAC1-(1-benzothiophen-3-yl)-N-methyl-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]methanamine
SMILESCN(Cc1ncc(-c2ccccc2)o1)Cc1csc2ccccc12
InChIInChI=1S/C20H18N2OS/c1-22(12-16-14-24-19-10-6-5-9-17(16)19)13-20-21-11-18(23-20)15-7-3-2-4-8-15/h2-11,14H,12-13H2,1H3
InChIKeyDAFRJNBWIJRHCL-UHFFFAOYSA-N
MW334.44 g/mol
LogP5.19
Rot. Bonds5

About 1-(1-benzothiophen-3-yl)-N-methyl-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]methanamine

1-(1-benzothiophen-3-yl)-N-methyl-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]methanamine (PubChem CID 60500829) has the molecular formula C20H18N2OS and a molecular weight of 334.44 g/mol. Its IUPAC name is 1-(1-benzothiophen-3-yl)-N-methyl-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(1-benzothiophen-3-yl)-N-methyl-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]methanamine
PubChem CID60500829
Molecular FormulaC20H18N2OS
Molecular Weight334.44 g/mol
Exact Mass334.11
IUPAC Name1-(1-benzothiophen-3-yl)-N-methyl-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]methanamine
SMILESCN(Cc1ncc(-c2ccccc2)o1)Cc1csc2ccccc12
InChIInChI=1S/C20H18N2OS/c1-22(12-16-14-24-19-10-6-5-9-17(16)19)13-20-21-11-18(23-20)15-7-3-2-4-8-15/h2-11,14H,12-13H2,1H3
InChIKeyDAFRJNBWIJRHCL-UHFFFAOYSA-N
XLogP5.19
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.44
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,4-dichlorophenyl)-N-methyl-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]methanamine
CID 9251492
[1-benzothiophen-3-ylmethyl(methyl)amino]methanol
CID 115229231
2-[[1-benzothiophen-3-ylmethyl(methyl)amino]methyl]aniline
CID 63737039
3-[1-benzothiophen-3-ylmethyl(methyl)amino]propanoic acid;hydrochloride
CID 172907533
N-(1-benzothiophen-3-ylmethyl)-2,2,2-trifluoro-N-methylethanamine
CID 115257994
1-(6-methoxynaphthalen-2-yl)-N-methyl-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]methanamine
CID 18088834
N-methyl-1-(oxan-2-yl)-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]methanamine
CID 86825192
N-methyl-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]-1-pyridin-4-ylpropan-1-amine
CID 75435406
N-(1-benzothiophen-3-ylmethyl)-N-methyl-2-(1H-pyrazol-4-yl)ethanamine
CID 166210882
N-[[5-(1-benzothiophen-3-yl)-1,3-oxazol-2-yl]methyl]ethanamine
CID 65184230
2-[5-(1-benzothiophen-3-yl)-1,3-oxazol-2-yl]ethanamine
CID 65178974
1-(1-benzothiophen-3-yl)-N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N-methylmethanamine
CID 131902585

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-3-yl)-N-methyl-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]methanamine?
The IUPAC name of 1-(1-benzothiophen-3-yl)-N-methyl-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]methanamine (CID 60500829) is 1-(1-benzothiophen-3-yl)-N-methyl-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]methanamine.
What is the SMILES notation for 1-(1-benzothiophen-3-yl)-N-methyl-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]methanamine?
The canonical SMILES for 1-(1-benzothiophen-3-yl)-N-methyl-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]methanamine is CN(Cc1ncc(-c2ccccc2)o1)Cc1csc2ccccc12.
What is the InChIKey of 1-(1-benzothiophen-3-yl)-N-methyl-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]methanamine?
The InChIKey is DAFRJNBWIJRHCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2OS/c1-22(12-16-14-24-19-10-6-5-9-17(16)19)13-20-21-11-18(23-20)15-7-3-2-4-8-15/h2-11,14H,12-13H2,1H3.
What are the key properties of 1-(1-benzothiophen-3-yl)-N-methyl-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]methanamine?
1-(1-benzothiophen-3-yl)-N-methyl-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]methanamine has a molecular weight of 334.44 g/mol, XLogP of 5.19, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-3-yl)-N-methyl-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]methanamine is sourced from PubChem (CID 60500829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).