N-[1-[5-[2-(trifluoromethyl)cyclohexyl]-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine

C14H22F3N3O — CID 104622616

IUPACN-[1-[5-[2-(trifluoromethyl)cyclohexyl]-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1nnc(C2CCCCC2C(F)(F)F)o1
InChIInChI=1S/C14H22F3N3O/c1-3-8-18-9(2)12-19-20-13(21-12)10-6-4-5-7-11(10)14(15,16)17/h9-11,18H,3-8H2,1-2H3
InChIKeyCNCKSXAXTSKZJL-UHFFFAOYSA-N
MW305.34 g/mol
LogP3.97
Rot. Bonds5

About N-[1-[5-[2-(trifluoromethyl)cyclohexyl]-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine

N-[1-[5-[2-(trifluoromethyl)cyclohexyl]-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine (PubChem CID 104622616) has the molecular formula C14H22F3N3O and a molecular weight of 305.34 g/mol. Its IUPAC name is N-[1-[5-[2-(trifluoromethyl)cyclohexyl]-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[5-[2-(trifluoromethyl)cyclohexyl]-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine
PubChem CID104622616
Molecular FormulaC14H22F3N3O
Molecular Weight305.34 g/mol
Exact Mass305.17
IUPAC NameN-[1-[5-[2-(trifluoromethyl)cyclohexyl]-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1nnc(C2CCCCC2C(F)(F)F)o1
InChIInChI=1S/C14H22F3N3O/c1-3-8-18-9(2)12-19-20-13(21-12)10-6-4-5-7-11(10)14(15,16)17/h9-11,18H,3-8H2,1-2H3
InChIKeyCNCKSXAXTSKZJL-UHFFFAOYSA-N
XLogP3.97
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[5-[2-(trifluoromethyl)cyclohexyl]-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[5-[2-(trifluoromethyl)cyclohexyl]-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine (CID 104622616) is N-[1-[5-[2-(trifluoromethyl)cyclohexyl]-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[5-[2-(trifluoromethyl)cyclohexyl]-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[5-[2-(trifluoromethyl)cyclohexyl]-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine is CCCNC(C)c1nnc(C2CCCCC2C(F)(F)F)o1.
What is the InChIKey of N-[1-[5-[2-(trifluoromethyl)cyclohexyl]-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine?
The InChIKey is CNCKSXAXTSKZJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F3N3O/c1-3-8-18-9(2)12-19-20-13(21-12)10-6-4-5-7-11(10)14(15,16)17/h9-11,18H,3-8H2,1-2H3.
What are the key properties of N-[1-[5-[2-(trifluoromethyl)cyclohexyl]-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine?
N-[1-[5-[2-(trifluoromethyl)cyclohexyl]-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine has a molecular weight of 305.34 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-[2-(trifluoromethyl)cyclohexyl]-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine is sourced from PubChem (CID 104622616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).