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

C13H16N2OS — CID 56662573

IUPACN-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]cyclopentanamine
SMILESc1csc(-c2nc(CNC3CCCC3)co2)c1
InChIInChI=1S/C13H16N2OS/c1-2-5-10(4-1)14-8-11-9-16-13(15-11)12-6-3-7-17-12/h3,6-7,9-10,14H,1-2,4-5,8H2
InChIKeyIWDIRNLZJRQXBY-UHFFFAOYSA-N
MW248.35 g/mol
LogP3.44
Rot. Bonds4

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

N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]cyclopentanamine (PubChem CID 56662573) has the molecular formula C13H16N2OS and a molecular weight of 248.35 g/mol. Its IUPAC name is N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]cyclopentanamine.

Molecular Properties

Compound NameN-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]cyclopentanamine
PubChem CID56662573
Molecular FormulaC13H16N2OS
Molecular Weight248.35 g/mol
Exact Mass248.10
IUPAC NameN-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]cyclopentanamine
SMILESc1csc(-c2nc(CNC3CCCC3)co2)c1
InChIInChI=1S/C13H16N2OS/c1-2-5-10(4-1)14-8-11-9-16-13(15-11)12-6-3-7-17-12/h3,6-7,9-10,14H,1-2,4-5,8H2
InChIKeyIWDIRNLZJRQXBY-UHFFFAOYSA-N
XLogP3.44
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]cyclopentanamine?
The IUPAC name of N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]cyclopentanamine (CID 56662573) is N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]cyclopentanamine.
What is the SMILES notation for N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]cyclopentanamine?
The canonical SMILES for N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]cyclopentanamine is c1csc(-c2nc(CNC3CCCC3)co2)c1.
What is the InChIKey of N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]cyclopentanamine?
The InChIKey is IWDIRNLZJRQXBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2OS/c1-2-5-10(4-1)14-8-11-9-16-13(15-11)12-6-3-7-17-12/h3,6-7,9-10,14H,1-2,4-5,8H2.
What are the key properties of N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]cyclopentanamine?
N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]cyclopentanamine has a molecular weight of 248.35 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]cyclopentanamine is sourced from PubChem (CID 56662573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).