1-[2-(1,2-oxazol-5-ylmethoxy)phenyl]-N-propylpropan-1-amine

C16H22N2O2 — CID 60882098

IUPAC1-[2-(1,2-oxazol-5-ylmethoxy)phenyl]-N-propylpropan-1-amine
SMILESCCCNC(CC)c1ccccc1OCc1ccno1
InChIInChI=1S/C16H22N2O2/c1-3-10-17-15(4-2)14-7-5-6-8-16(14)19-12-13-9-11-18-20-13/h5-9,11,15,17H,3-4,10,12H2,1-2H3
InChIKeyJFYIDIZSARCVFF-UHFFFAOYSA-N
MW274.36 g/mol
LogP3.70
Rot. Bonds8

About 1-[2-(1,2-oxazol-5-ylmethoxy)phenyl]-N-propylpropan-1-amine

1-[2-(1,2-oxazol-5-ylmethoxy)phenyl]-N-propylpropan-1-amine (PubChem CID 60882098) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 1-[2-(1,2-oxazol-5-ylmethoxy)phenyl]-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-[2-(1,2-oxazol-5-ylmethoxy)phenyl]-N-propylpropan-1-amine
PubChem CID60882098
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name1-[2-(1,2-oxazol-5-ylmethoxy)phenyl]-N-propylpropan-1-amine
SMILESCCCNC(CC)c1ccccc1OCc1ccno1
InChIInChI=1S/C16H22N2O2/c1-3-10-17-15(4-2)14-7-5-6-8-16(14)19-12-13-9-11-18-20-13/h5-9,11,15,17H,3-4,10,12H2,1-2H3
InChIKeyJFYIDIZSARCVFF-UHFFFAOYSA-N
XLogP3.70
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[2-(1,2-oxazol-5-ylmethoxy)phenyl]-N-propylpropan-1-amine 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

(1R)-1-[2-(1,2-oxazol-5-ylmethoxy)phenyl]propan-1-amine
CID 55190081
1-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]-N-propylpropan-1-amine
CID 60882283
1-[2-(3-fluoropropoxy)phenyl]-N-propylpropan-1-amine
CID 81106764
1-(2-methoxyphenyl)-N-propylpropan-1-amine
CID 43279174
N-[1-[5-chloro-2-(1,2-oxazol-5-ylmethoxy)phenyl]ethyl]propan-1-amine
CID 62074246
1-[2-(2-propoxyethoxy)phenyl]-N-propylpropan-1-amine
CID 115995694
1-[2-(3-ethoxypropoxy)phenyl]-N-propylpropan-1-amine
CID 65176453
1-(2-ethoxyphenyl)-N-(1,2-oxazol-5-ylmethyl)ethanamine
CID 103913113
1-[2-(oxolan-2-ylmethoxy)phenyl]-N-propylpropan-1-amine
CID 43279172
1-[2-(oxan-2-ylmethoxy)phenyl]-N-propylpropan-1-amine
CID 43591765
1-(2-ethoxyphenyl)-3-ethyl-N-propylpentan-1-amine
CID 82923027
1-(2-ethoxyphenyl)-N-propylpentan-1-amine
CID 79411524

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,2-oxazol-5-ylmethoxy)phenyl]-N-propylpropan-1-amine?
The IUPAC name of 1-[2-(1,2-oxazol-5-ylmethoxy)phenyl]-N-propylpropan-1-amine (CID 60882098) is 1-[2-(1,2-oxazol-5-ylmethoxy)phenyl]-N-propylpropan-1-amine.
What is the SMILES notation for 1-[2-(1,2-oxazol-5-ylmethoxy)phenyl]-N-propylpropan-1-amine?
The canonical SMILES for 1-[2-(1,2-oxazol-5-ylmethoxy)phenyl]-N-propylpropan-1-amine is CCCNC(CC)c1ccccc1OCc1ccno1.
What is the InChIKey of 1-[2-(1,2-oxazol-5-ylmethoxy)phenyl]-N-propylpropan-1-amine?
The InChIKey is JFYIDIZSARCVFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-3-10-17-15(4-2)14-7-5-6-8-16(14)19-12-13-9-11-18-20-13/h5-9,11,15,17H,3-4,10,12H2,1-2H3.
What are the key properties of 1-[2-(1,2-oxazol-5-ylmethoxy)phenyl]-N-propylpropan-1-amine?
1-[2-(1,2-oxazol-5-ylmethoxy)phenyl]-N-propylpropan-1-amine has a molecular weight of 274.36 g/mol, XLogP of 3.70, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,2-oxazol-5-ylmethoxy)phenyl]-N-propylpropan-1-amine is sourced from PubChem (CID 60882098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).