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

C16H18F3N3O — CID 87013360

IUPAC1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine
SMILESCC(c1nc(C2CC2)no1)N(C)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H18F3N3O/c1-10(15-20-14(21-23-15)12-5-6-12)22(2)9-11-3-7-13(8-4-11)16(17,18)19/h3-4,7-8,10,12H,5-6,9H2,1-2H3
InChIKeyBOHGRASPXWQWIX-UHFFFAOYSA-N
MW325.33 g/mol
LogP4.16
Rot. Bonds5

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

1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine (PubChem CID 87013360) has the molecular formula C16H18F3N3O and a molecular weight of 325.33 g/mol. Its IUPAC name is 1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine.

Molecular Properties

Compound Name1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine
PubChem CID87013360
Molecular FormulaC16H18F3N3O
Molecular Weight325.33 g/mol
Exact Mass325.14
IUPAC Name1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine
SMILESCC(c1nc(C2CC2)no1)N(C)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H18F3N3O/c1-10(15-20-14(21-23-15)12-5-6-12)22(2)9-11-3-7-13(8-4-11)16(17,18)19/h3-4,7-8,10,12H,5-6,9H2,1-2H3
InChIKeyBOHGRASPXWQWIX-UHFFFAOYSA-N
XLogP4.16
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.33
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine?
The IUPAC name of 1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine (CID 87013360) is 1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine.
What is the SMILES notation for 1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine?
The canonical SMILES for 1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine is CC(c1nc(C2CC2)no1)N(C)Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine?
The InChIKey is BOHGRASPXWQWIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N3O/c1-10(15-20-14(21-23-15)12-5-6-12)22(2)9-11-3-7-13(8-4-11)16(17,18)19/h3-4,7-8,10,12H,5-6,9H2,1-2H3.
What are the key properties of 1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine?
1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine has a molecular weight of 325.33 g/mol, XLogP of 4.16, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine is sourced from PubChem (CID 87013360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).