1-[3-[cyclopropyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]-1-phenylethanamine

C16H21N3O2 — CID 116703773

IUPAC1-[3-[cyclopropyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]-1-phenylethanamine
SMILESCCOC(c1noc(C(C)(N)c2ccccc2)n1)C1CC1
InChIInChI=1S/C16H21N3O2/c1-3-20-13(11-9-10-11)14-18-15(21-19-14)16(2,17)12-7-5-4-6-8-12/h4-8,11,13H,3,9-10,17H2,1-2H3
InChIKeySZJPSQHUCKOQRZ-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.78
Rot. Bonds6

About 1-[3-[cyclopropyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]-1-phenylethanamine

1-[3-[cyclopropyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]-1-phenylethanamine (PubChem CID 116703773) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 1-[3-[cyclopropyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]-1-phenylethanamine.

Molecular Properties

Compound Name1-[3-[cyclopropyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]-1-phenylethanamine
PubChem CID116703773
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name1-[3-[cyclopropyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]-1-phenylethanamine
SMILESCCOC(c1noc(C(C)(N)c2ccccc2)n1)C1CC1
InChIInChI=1S/C16H21N3O2/c1-3-20-13(11-9-10-11)14-18-15(21-19-14)16(2,17)12-7-5-4-6-8-12/h4-8,11,13H,3,9-10,17H2,1-2H3
InChIKeySZJPSQHUCKOQRZ-UHFFFAOYSA-N
XLogP2.78
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[3-[cyclopropyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]-1-phenylethanamine with MolForge

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

Launch Full Analysis

Related Compounds

3-[3-[cyclopropyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]pentan-3-amine
CID 116703876
[3-[cyclopropyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]-phenylmethanol
CID 116733877
2-[3-[cyclopropyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]aniline
CID 116703677
[2-[[3-[cyclopropyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl]phenyl]methanamine
CID 116703729
4-[3-[cyclopropyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]aniline
CID 116703850
(1S)-1-[3-[cyclopropyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
CID 104901845
4-[[3-[cyclopropyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl]aniline
CID 116703853
2-[3-[ethoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 116743922
3-[3-[cyclopropyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]benzene-1,2-diol
CID 136928505
3-[3-[cyclopropyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]-2-methylphenol
CID 116733875
1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-phenylethanamine
CID 62488541
1-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]-1-phenylethanamine
CID 65328987

Frequently Asked Questions

What is the IUPAC name of 1-[3-[cyclopropyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]-1-phenylethanamine?
The IUPAC name of 1-[3-[cyclopropyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]-1-phenylethanamine (CID 116703773) is 1-[3-[cyclopropyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]-1-phenylethanamine.
What is the SMILES notation for 1-[3-[cyclopropyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]-1-phenylethanamine?
The canonical SMILES for 1-[3-[cyclopropyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]-1-phenylethanamine is CCOC(c1noc(C(C)(N)c2ccccc2)n1)C1CC1.
What is the InChIKey of 1-[3-[cyclopropyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]-1-phenylethanamine?
The InChIKey is SZJPSQHUCKOQRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-3-20-13(11-9-10-11)14-18-15(21-19-14)16(2,17)12-7-5-4-6-8-12/h4-8,11,13H,3,9-10,17H2,1-2H3.
What are the key properties of 1-[3-[cyclopropyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]-1-phenylethanamine?
1-[3-[cyclopropyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]-1-phenylethanamine has a molecular weight of 287.36 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[cyclopropyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]-1-phenylethanamine is sourced from PubChem (CID 116703773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).