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

C15H23F3N2O — CID 104622872

IUPACN-[1-[5-[2-(trifluoromethyl)cyclohexyl]-1,3-oxazol-2-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1ncc(C2CCCCC2C(F)(F)F)o1
InChIInChI=1S/C15H23F3N2O/c1-3-8-19-10(2)14-20-9-13(21-14)11-6-4-5-7-12(11)15(16,17)18/h9-12,19H,3-8H2,1-2H3
InChIKeySSBQOLYKMQNHPD-UHFFFAOYSA-N
MW304.36 g/mol
LogP4.57
Rot. Bonds5

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

N-[1-[5-[2-(trifluoromethyl)cyclohexyl]-1,3-oxazol-2-yl]ethyl]propan-1-amine (PubChem CID 104622872) has the molecular formula C15H23F3N2O and a molecular weight of 304.36 g/mol. Its IUPAC name is N-[1-[5-[2-(trifluoromethyl)cyclohexyl]-1,3-oxazol-2-yl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[5-[2-(trifluoromethyl)cyclohexyl]-1,3-oxazol-2-yl]ethyl]propan-1-amine
PubChem CID104622872
Molecular FormulaC15H23F3N2O
Molecular Weight304.36 g/mol
Exact Mass304.18
IUPAC NameN-[1-[5-[2-(trifluoromethyl)cyclohexyl]-1,3-oxazol-2-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1ncc(C2CCCCC2C(F)(F)F)o1
InChIInChI=1S/C15H23F3N2O/c1-3-8-19-10(2)14-20-9-13(21-14)11-6-4-5-7-12(11)15(16,17)18/h9-12,19H,3-8H2,1-2H3
InChIKeySSBQOLYKMQNHPD-UHFFFAOYSA-N
XLogP4.57
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.36
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-[5-[2-(trifluoromethyl)cyclohexyl]-1,3-oxazol-2-yl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[5-[2-(trifluoromethyl)cyclohexyl]-1,3-oxazol-2-yl]ethyl]propan-1-amine (CID 104622872) is N-[1-[5-[2-(trifluoromethyl)cyclohexyl]-1,3-oxazol-2-yl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[5-[2-(trifluoromethyl)cyclohexyl]-1,3-oxazol-2-yl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[5-[2-(trifluoromethyl)cyclohexyl]-1,3-oxazol-2-yl]ethyl]propan-1-amine is CCCNC(C)c1ncc(C2CCCCC2C(F)(F)F)o1.
What is the InChIKey of N-[1-[5-[2-(trifluoromethyl)cyclohexyl]-1,3-oxazol-2-yl]ethyl]propan-1-amine?
The InChIKey is SSBQOLYKMQNHPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F3N2O/c1-3-8-19-10(2)14-20-9-13(21-14)11-6-4-5-7-12(11)15(16,17)18/h9-12,19H,3-8H2,1-2H3.
What are the key properties of N-[1-[5-[2-(trifluoromethyl)cyclohexyl]-1,3-oxazol-2-yl]ethyl]propan-1-amine?
N-[1-[5-[2-(trifluoromethyl)cyclohexyl]-1,3-oxazol-2-yl]ethyl]propan-1-amine has a molecular weight of 304.36 g/mol, XLogP of 4.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-[2-(trifluoromethyl)cyclohexyl]-1,3-oxazol-2-yl]ethyl]propan-1-amine is sourced from PubChem (CID 104622872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).