N-methyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]propan-1-amine

C12H16N2OS — CID 56658331

IUPACN-methyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]propan-1-amine
SMILESCCCN(C)Cc1coc(-c2cccs2)n1
InChIInChI=1S/C12H16N2OS/c1-3-6-14(2)8-10-9-15-12(13-10)11-5-4-7-16-11/h4-5,7,9H,3,6,8H2,1-2H3
InChIKeyIPYAIXNGPYGYDY-UHFFFAOYSA-N
MW236.34 g/mol
LogP3.24
Rot. Bonds5

About N-methyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]propan-1-amine

N-methyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]propan-1-amine (PubChem CID 56658331) has the molecular formula C12H16N2OS and a molecular weight of 236.34 g/mol. Its IUPAC name is N-methyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-methyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]propan-1-amine
PubChem CID56658331
Molecular FormulaC12H16N2OS
Molecular Weight236.34 g/mol
Exact Mass236.10
IUPAC NameN-methyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]propan-1-amine
SMILESCCCN(C)Cc1coc(-c2cccs2)n1
InChIInChI=1S/C12H16N2OS/c1-3-6-14(2)8-10-9-15-12(13-10)11-5-4-7-16-11/h4-5,7,9H,3,6,8H2,1-2H3
InChIKeyIPYAIXNGPYGYDY-UHFFFAOYSA-N
XLogP3.24
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]propan-1-amine?
The IUPAC name of N-methyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]propan-1-amine (CID 56658331) is N-methyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]propan-1-amine.
What is the SMILES notation for N-methyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]propan-1-amine?
The canonical SMILES for N-methyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]propan-1-amine is CCCN(C)Cc1coc(-c2cccs2)n1.
What is the InChIKey of N-methyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]propan-1-amine?
The InChIKey is IPYAIXNGPYGYDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2OS/c1-3-6-14(2)8-10-9-15-12(13-10)11-5-4-7-16-11/h4-5,7,9H,3,6,8H2,1-2H3.
What are the key properties of N-methyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]propan-1-amine?
N-methyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]propan-1-amine has a molecular weight of 236.34 g/mol, XLogP of 3.24, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]propan-1-amine is sourced from PubChem (CID 56658331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).