1-[5-(1-benzothiophen-2-yl)-1,2-oxazol-3-yl]-N-methylmethanamine

C13H12N2OS — CID 114911396

IUPAC1-[5-(1-benzothiophen-2-yl)-1,2-oxazol-3-yl]-N-methylmethanamine
SMILESCNCc1cc(-c2cc3ccccc3s2)on1
InChIInChI=1S/C13H12N2OS/c1-14-8-10-7-11(16-15-10)13-6-9-4-2-3-5-12(9)17-13/h2-7,14H,8H2,1H3
InChIKeyQREZOFWWULPOFJ-UHFFFAOYSA-N
MW244.32 g/mol
LogP3.28
Rot. Bonds3

About 1-[5-(1-benzothiophen-2-yl)-1,2-oxazol-3-yl]-N-methylmethanamine

1-[5-(1-benzothiophen-2-yl)-1,2-oxazol-3-yl]-N-methylmethanamine (PubChem CID 114911396) has the molecular formula C13H12N2OS and a molecular weight of 244.32 g/mol. Its IUPAC name is 1-[5-(1-benzothiophen-2-yl)-1,2-oxazol-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-(1-benzothiophen-2-yl)-1,2-oxazol-3-yl]-N-methylmethanamine
PubChem CID114911396
Molecular FormulaC13H12N2OS
Molecular Weight244.32 g/mol
Exact Mass244.07
IUPAC Name1-[5-(1-benzothiophen-2-yl)-1,2-oxazol-3-yl]-N-methylmethanamine
SMILESCNCc1cc(-c2cc3ccccc3s2)on1
InChIInChI=1S/C13H12N2OS/c1-14-8-10-7-11(16-15-10)13-6-9-4-2-3-5-12(9)17-13/h2-7,14H,8H2,1H3
InChIKeyQREZOFWWULPOFJ-UHFFFAOYSA-N
XLogP3.28
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(1-benzothiophen-2-yl)-3-(chloromethyl)-1,2-oxazole
CID 114911405
1-[5-(furan-2-yl)-1,2-oxazol-3-yl]-N-methylmethanamine
CID 7537518
N-[[2-(1-benzothiophen-2-yl)-1,3-oxazol-4-yl]methyl]propan-2-amine
CID 65287899
3-(1-benzothiophen-2-yl)-4-methyl-1,2-oxazol-5-amine
CID 61406979
5-(1-benzothiophen-2-yl)-3-chloro-1,2,4-oxadiazole
CID 112571951
N-[[5-(1-benzothiophen-2-yl)-1,2-oxazol-4-yl]methyl]propan-2-amine
CID 114911177
N-methyl-1-[5-(2-pentoxyphenyl)-1,2-oxazol-3-yl]methanamine
CID 54847006
2-(5-methylthiophen-2-yl)-1-benzothiophene
CID 23543358
1-[5-(4-bromo-2-chlorophenyl)-1,2-oxazol-3-yl]-N-methylmethanamine
CID 82781042
N-(1-benzothiophen-2-ylmethyl)-3-methylcyclobutan-1-amine
CID 115694093
N-[[5-(1-benzothiophen-2-yl)-1,2-oxazol-4-yl]methyl]-2-methoxyethanamine
CID 114911181
2-(1-benzothiophen-2-yl)-5-methyl-1,3,4-oxadiazole
CID 158204466

Frequently Asked Questions

What is the IUPAC name of 1-[5-(1-benzothiophen-2-yl)-1,2-oxazol-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[5-(1-benzothiophen-2-yl)-1,2-oxazol-3-yl]-N-methylmethanamine (CID 114911396) is 1-[5-(1-benzothiophen-2-yl)-1,2-oxazol-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-(1-benzothiophen-2-yl)-1,2-oxazol-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[5-(1-benzothiophen-2-yl)-1,2-oxazol-3-yl]-N-methylmethanamine is CNCc1cc(-c2cc3ccccc3s2)on1.
What is the InChIKey of 1-[5-(1-benzothiophen-2-yl)-1,2-oxazol-3-yl]-N-methylmethanamine?
The InChIKey is QREZOFWWULPOFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2OS/c1-14-8-10-7-11(16-15-10)13-6-9-4-2-3-5-12(9)17-13/h2-7,14H,8H2,1H3.
What are the key properties of 1-[5-(1-benzothiophen-2-yl)-1,2-oxazol-3-yl]-N-methylmethanamine?
1-[5-(1-benzothiophen-2-yl)-1,2-oxazol-3-yl]-N-methylmethanamine has a molecular weight of 244.32 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(1-benzothiophen-2-yl)-1,2-oxazol-3-yl]-N-methylmethanamine is sourced from PubChem (CID 114911396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).