N-[[2-(1-benzothiophen-3-yl)-1,3-oxazol-4-yl]methyl]cyclopropanamine

C15H14N2OS — CID 65288050

IUPACN-[[2-(1-benzothiophen-3-yl)-1,3-oxazol-4-yl]methyl]cyclopropanamine
SMILESc1ccc2c(-c3nc(CNC4CC4)co3)csc2c1
InChIInChI=1S/C15H14N2OS/c1-2-4-14-12(3-1)13(9-19-14)15-17-11(8-18-15)7-16-10-5-6-10/h1-4,8-10,16H,5-7H2
InChIKeyMPDGWHNEJSGUCA-UHFFFAOYSA-N
MW270.36 g/mol
LogP3.81
Rot. Bonds4

About N-[[2-(1-benzothiophen-3-yl)-1,3-oxazol-4-yl]methyl]cyclopropanamine

N-[[2-(1-benzothiophen-3-yl)-1,3-oxazol-4-yl]methyl]cyclopropanamine (PubChem CID 65288050) has the molecular formula C15H14N2OS and a molecular weight of 270.36 g/mol. Its IUPAC name is N-[[2-(1-benzothiophen-3-yl)-1,3-oxazol-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(1-benzothiophen-3-yl)-1,3-oxazol-4-yl]methyl]cyclopropanamine
PubChem CID65288050
Molecular FormulaC15H14N2OS
Molecular Weight270.36 g/mol
Exact Mass270.08
IUPAC NameN-[[2-(1-benzothiophen-3-yl)-1,3-oxazol-4-yl]methyl]cyclopropanamine
SMILESc1ccc2c(-c3nc(CNC4CC4)co3)csc2c1
InChIInChI=1S/C15H14N2OS/c1-2-4-14-12(3-1)13(9-19-14)15-17-11(8-18-15)7-16-10-5-6-10/h1-4,8-10,16H,5-7H2
InChIKeyMPDGWHNEJSGUCA-UHFFFAOYSA-N
XLogP3.81
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(1-benzothiophen-3-yl)-1,3-oxazol-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(1-benzothiophen-3-yl)-1,3-oxazol-4-yl]methyl]cyclopropanamine (CID 65288050) is N-[[2-(1-benzothiophen-3-yl)-1,3-oxazol-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(1-benzothiophen-3-yl)-1,3-oxazol-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(1-benzothiophen-3-yl)-1,3-oxazol-4-yl]methyl]cyclopropanamine is c1ccc2c(-c3nc(CNC4CC4)co3)csc2c1.
What is the InChIKey of N-[[2-(1-benzothiophen-3-yl)-1,3-oxazol-4-yl]methyl]cyclopropanamine?
The InChIKey is MPDGWHNEJSGUCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2OS/c1-2-4-14-12(3-1)13(9-19-14)15-17-11(8-18-15)7-16-10-5-6-10/h1-4,8-10,16H,5-7H2.
What are the key properties of N-[[2-(1-benzothiophen-3-yl)-1,3-oxazol-4-yl]methyl]cyclopropanamine?
N-[[2-(1-benzothiophen-3-yl)-1,3-oxazol-4-yl]methyl]cyclopropanamine has a molecular weight of 270.36 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(1-benzothiophen-3-yl)-1,3-oxazol-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 65288050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).