N-(1,2-oxazol-3-ylmethyl)-N-(3,3,3-trifluoropropyl)cyclopentanamine

C12H17F3N2O — CID 71973879

IUPACN-(1,2-oxazol-3-ylmethyl)-N-(3,3,3-trifluoropropyl)cyclopentanamine
SMILESFC(F)(F)CCN(Cc1ccon1)C1CCCC1
InChIInChI=1S/C12H17F3N2O/c13-12(14,15)6-7-17(11-3-1-2-4-11)9-10-5-8-18-16-10/h5,8,11H,1-4,6-7,9H2
InChIKeyWHSSTWZUQOSNMN-UHFFFAOYSA-N
MW262.27 g/mol
LogP3.37
Rot. Bonds5

About N-(1,2-oxazol-3-ylmethyl)-N-(3,3,3-trifluoropropyl)cyclopentanamine

N-(1,2-oxazol-3-ylmethyl)-N-(3,3,3-trifluoropropyl)cyclopentanamine (PubChem CID 71973879) has the molecular formula C12H17F3N2O and a molecular weight of 262.27 g/mol. Its IUPAC name is N-(1,2-oxazol-3-ylmethyl)-N-(3,3,3-trifluoropropyl)cyclopentanamine.

Molecular Properties

Compound NameN-(1,2-oxazol-3-ylmethyl)-N-(3,3,3-trifluoropropyl)cyclopentanamine
PubChem CID71973879
Molecular FormulaC12H17F3N2O
Molecular Weight262.27 g/mol
Exact Mass262.13
IUPAC NameN-(1,2-oxazol-3-ylmethyl)-N-(3,3,3-trifluoropropyl)cyclopentanamine
SMILESFC(F)(F)CCN(Cc1ccon1)C1CCCC1
InChIInChI=1S/C12H17F3N2O/c13-12(14,15)6-7-17(11-3-1-2-4-11)9-10-5-8-18-16-10/h5,8,11H,1-4,6-7,9H2
InChIKeyWHSSTWZUQOSNMN-UHFFFAOYSA-N
XLogP3.37
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1,2-oxazol-3-ylmethyl)-N-(3,3,3-trifluoropropyl)cyclopentanamine?
The IUPAC name of N-(1,2-oxazol-3-ylmethyl)-N-(3,3,3-trifluoropropyl)cyclopentanamine (CID 71973879) is N-(1,2-oxazol-3-ylmethyl)-N-(3,3,3-trifluoropropyl)cyclopentanamine.
What is the SMILES notation for N-(1,2-oxazol-3-ylmethyl)-N-(3,3,3-trifluoropropyl)cyclopentanamine?
The canonical SMILES for N-(1,2-oxazol-3-ylmethyl)-N-(3,3,3-trifluoropropyl)cyclopentanamine is FC(F)(F)CCN(Cc1ccon1)C1CCCC1.
What is the InChIKey of N-(1,2-oxazol-3-ylmethyl)-N-(3,3,3-trifluoropropyl)cyclopentanamine?
The InChIKey is WHSSTWZUQOSNMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2O/c13-12(14,15)6-7-17(11-3-1-2-4-11)9-10-5-8-18-16-10/h5,8,11H,1-4,6-7,9H2.
What are the key properties of N-(1,2-oxazol-3-ylmethyl)-N-(3,3,3-trifluoropropyl)cyclopentanamine?
N-(1,2-oxazol-3-ylmethyl)-N-(3,3,3-trifluoropropyl)cyclopentanamine has a molecular weight of 262.27 g/mol, XLogP of 3.37, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-oxazol-3-ylmethyl)-N-(3,3,3-trifluoropropyl)cyclopentanamine is sourced from PubChem (CID 71973879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).