N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-[2-(trifluoromethyl)phenyl]cyclopentan-1-amine

C16H18F3N3O — CID 86803855

IUPACN-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-[2-(trifluoromethyl)phenyl]cyclopentan-1-amine
SMILESCc1nnc(CNC2CCCC2c2ccccc2C(F)(F)F)o1
InChIInChI=1S/C16H18F3N3O/c1-10-21-22-15(23-10)9-20-14-8-4-6-12(14)11-5-2-3-7-13(11)16(17,18)19/h2-3,5,7,12,14,20H,4,6,8-9H2,1H3
InChIKeyHTPRQJIGSKOPII-UHFFFAOYSA-N
MW325.33 g/mol
LogP3.82
Rot. Bonds4

About N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-[2-(trifluoromethyl)phenyl]cyclopentan-1-amine

N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-[2-(trifluoromethyl)phenyl]cyclopentan-1-amine (PubChem CID 86803855) has the molecular formula C16H18F3N3O and a molecular weight of 325.33 g/mol. Its IUPAC name is N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-[2-(trifluoromethyl)phenyl]cyclopentan-1-amine.

Molecular Properties

Compound NameN-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-[2-(trifluoromethyl)phenyl]cyclopentan-1-amine
PubChem CID86803855
Molecular FormulaC16H18F3N3O
Molecular Weight325.33 g/mol
Exact Mass325.14
IUPAC NameN-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-[2-(trifluoromethyl)phenyl]cyclopentan-1-amine
SMILESCc1nnc(CNC2CCCC2c2ccccc2C(F)(F)F)o1
InChIInChI=1S/C16H18F3N3O/c1-10-21-22-15(23-10)9-20-14-8-4-6-12(14)11-5-2-3-7-13(11)16(17,18)19/h2-3,5,7,12,14,20H,4,6,8-9H2,1H3
InChIKeyHTPRQJIGSKOPII-UHFFFAOYSA-N
XLogP3.82
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.33
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-[2-(trifluoromethyl)phenyl]cyclopentan-1-amine?
The IUPAC name of N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-[2-(trifluoromethyl)phenyl]cyclopentan-1-amine (CID 86803855) is N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-[2-(trifluoromethyl)phenyl]cyclopentan-1-amine.
What is the SMILES notation for N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-[2-(trifluoromethyl)phenyl]cyclopentan-1-amine?
The canonical SMILES for N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-[2-(trifluoromethyl)phenyl]cyclopentan-1-amine is Cc1nnc(CNC2CCCC2c2ccccc2C(F)(F)F)o1.
What is the InChIKey of N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-[2-(trifluoromethyl)phenyl]cyclopentan-1-amine?
The InChIKey is HTPRQJIGSKOPII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N3O/c1-10-21-22-15(23-10)9-20-14-8-4-6-12(14)11-5-2-3-7-13(11)16(17,18)19/h2-3,5,7,12,14,20H,4,6,8-9H2,1H3.
What are the key properties of N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-[2-(trifluoromethyl)phenyl]cyclopentan-1-amine?
N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-[2-(trifluoromethyl)phenyl]cyclopentan-1-amine has a molecular weight of 325.33 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-[2-(trifluoromethyl)phenyl]cyclopentan-1-amine is sourced from PubChem (CID 86803855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).