2-(1,3-benzoxazol-2-yl)-N-methyl-1-(4-methylthiophen-3-yl)ethanamine

C15H16N2OS — CID 79807660

IUPAC2-(1,3-benzoxazol-2-yl)-N-methyl-1-(4-methylthiophen-3-yl)ethanamine
SMILESCNC(Cc1nc2ccccc2o1)c1cscc1C
InChIInChI=1S/C15H16N2OS/c1-10-8-19-9-11(10)13(16-2)7-15-17-12-5-3-4-6-14(12)18-15/h3-6,8-9,13,16H,7H2,1-2H3
InChIKeyNZHGZGFJZFLZHS-UHFFFAOYSA-N
MW272.37 g/mol
LogP3.70
Rot. Bonds4

About 2-(1,3-benzoxazol-2-yl)-N-methyl-1-(4-methylthiophen-3-yl)ethanamine

2-(1,3-benzoxazol-2-yl)-N-methyl-1-(4-methylthiophen-3-yl)ethanamine (PubChem CID 79807660) has the molecular formula C15H16N2OS and a molecular weight of 272.37 g/mol. Its IUPAC name is 2-(1,3-benzoxazol-2-yl)-N-methyl-1-(4-methylthiophen-3-yl)ethanamine.

Molecular Properties

Compound Name2-(1,3-benzoxazol-2-yl)-N-methyl-1-(4-methylthiophen-3-yl)ethanamine
PubChem CID79807660
Molecular FormulaC15H16N2OS
Molecular Weight272.37 g/mol
Exact Mass272.10
IUPAC Name2-(1,3-benzoxazol-2-yl)-N-methyl-1-(4-methylthiophen-3-yl)ethanamine
SMILESCNC(Cc1nc2ccccc2o1)c1cscc1C
InChIInChI=1S/C15H16N2OS/c1-10-8-19-9-11(10)13(16-2)7-15-17-12-5-3-4-6-14(12)18-15/h3-6,8-9,13,16H,7H2,1-2H3
InChIKeyNZHGZGFJZFLZHS-UHFFFAOYSA-N
XLogP3.70
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzoxazol-2-yl)-N-methyl-1-(4-methylthiophen-3-yl)ethanamine?
The IUPAC name of 2-(1,3-benzoxazol-2-yl)-N-methyl-1-(4-methylthiophen-3-yl)ethanamine (CID 79807660) is 2-(1,3-benzoxazol-2-yl)-N-methyl-1-(4-methylthiophen-3-yl)ethanamine.
What is the SMILES notation for 2-(1,3-benzoxazol-2-yl)-N-methyl-1-(4-methylthiophen-3-yl)ethanamine?
The canonical SMILES for 2-(1,3-benzoxazol-2-yl)-N-methyl-1-(4-methylthiophen-3-yl)ethanamine is CNC(Cc1nc2ccccc2o1)c1cscc1C.
What is the InChIKey of 2-(1,3-benzoxazol-2-yl)-N-methyl-1-(4-methylthiophen-3-yl)ethanamine?
The InChIKey is NZHGZGFJZFLZHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2OS/c1-10-8-19-9-11(10)13(16-2)7-15-17-12-5-3-4-6-14(12)18-15/h3-6,8-9,13,16H,7H2,1-2H3.
What are the key properties of 2-(1,3-benzoxazol-2-yl)-N-methyl-1-(4-methylthiophen-3-yl)ethanamine?
2-(1,3-benzoxazol-2-yl)-N-methyl-1-(4-methylthiophen-3-yl)ethanamine has a molecular weight of 272.37 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzoxazol-2-yl)-N-methyl-1-(4-methylthiophen-3-yl)ethanamine is sourced from PubChem (CID 79807660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).