N-[(3,3-difluorocyclopentyl)methyl]-1-(5-methyl-1,3-oxazol-2-yl)ethanamine

C12H18F2N2O — CID 114145626

IUPACN-[(3,3-difluorocyclopentyl)methyl]-1-(5-methyl-1,3-oxazol-2-yl)ethanamine
SMILESCc1cnc(C(C)NCC2CCC(F)(F)C2)o1
InChIInChI=1S/C12H18F2N2O/c1-8-6-16-11(17-8)9(2)15-7-10-3-4-12(13,14)5-10/h6,9-10,15H,3-5,7H2,1-2H3
InChIKeyQJCBLGNYANNJMG-UHFFFAOYSA-N
MW244.28 g/mol
LogP3.07
Rot. Bonds4

About N-[(3,3-difluorocyclopentyl)methyl]-1-(5-methyl-1,3-oxazol-2-yl)ethanamine

N-[(3,3-difluorocyclopentyl)methyl]-1-(5-methyl-1,3-oxazol-2-yl)ethanamine (PubChem CID 114145626) has the molecular formula C12H18F2N2O and a molecular weight of 244.28 g/mol. Its IUPAC name is N-[(3,3-difluorocyclopentyl)methyl]-1-(5-methyl-1,3-oxazol-2-yl)ethanamine.

Molecular Properties

Compound NameN-[(3,3-difluorocyclopentyl)methyl]-1-(5-methyl-1,3-oxazol-2-yl)ethanamine
PubChem CID114145626
Molecular FormulaC12H18F2N2O
Molecular Weight244.28 g/mol
Exact Mass244.14
IUPAC NameN-[(3,3-difluorocyclopentyl)methyl]-1-(5-methyl-1,3-oxazol-2-yl)ethanamine
SMILESCc1cnc(C(C)NCC2CCC(F)(F)C2)o1
InChIInChI=1S/C12H18F2N2O/c1-8-6-16-11(17-8)9(2)15-7-10-3-4-12(13,14)5-10/h6,9-10,15H,3-5,7H2,1-2H3
InChIKeyQJCBLGNYANNJMG-UHFFFAOYSA-N
XLogP3.07
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.28
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3,3-difluorocyclopentyl)methyl]-1-(5-methyl-1,3-oxazol-2-yl)ethanamine?
The IUPAC name of N-[(3,3-difluorocyclopentyl)methyl]-1-(5-methyl-1,3-oxazol-2-yl)ethanamine (CID 114145626) is N-[(3,3-difluorocyclopentyl)methyl]-1-(5-methyl-1,3-oxazol-2-yl)ethanamine.
What is the SMILES notation for N-[(3,3-difluorocyclopentyl)methyl]-1-(5-methyl-1,3-oxazol-2-yl)ethanamine?
The canonical SMILES for N-[(3,3-difluorocyclopentyl)methyl]-1-(5-methyl-1,3-oxazol-2-yl)ethanamine is Cc1cnc(C(C)NCC2CCC(F)(F)C2)o1.
What is the InChIKey of N-[(3,3-difluorocyclopentyl)methyl]-1-(5-methyl-1,3-oxazol-2-yl)ethanamine?
The InChIKey is QJCBLGNYANNJMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F2N2O/c1-8-6-16-11(17-8)9(2)15-7-10-3-4-12(13,14)5-10/h6,9-10,15H,3-5,7H2,1-2H3.
What are the key properties of N-[(3,3-difluorocyclopentyl)methyl]-1-(5-methyl-1,3-oxazol-2-yl)ethanamine?
N-[(3,3-difluorocyclopentyl)methyl]-1-(5-methyl-1,3-oxazol-2-yl)ethanamine has a molecular weight of 244.28 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,3-difluorocyclopentyl)methyl]-1-(5-methyl-1,3-oxazol-2-yl)ethanamine is sourced from PubChem (CID 114145626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).