5-(aminomethyl)-N-(4-ethoxy-3-fluorophenyl)-1,3,4-oxadiazol-2-amine

C11H13FN4O2 — CID 106964549

IUPAC5-(aminomethyl)-N-(4-ethoxy-3-fluorophenyl)-1,3,4-oxadiazol-2-amine
SMILESCCOc1ccc(Nc2nnc(CN)o2)cc1F
InChIInChI=1S/C11H13FN4O2/c1-2-17-9-4-3-7(5-8(9)12)14-11-16-15-10(6-13)18-11/h3-5H,2,6,13H2,1H3,(H,14,16)
InChIKeyJJFWMVCVDOQZQP-UHFFFAOYSA-N
MW252.25 g/mol
LogP1.81
Rot. Bonds5

About 5-(aminomethyl)-N-(4-ethoxy-3-fluorophenyl)-1,3,4-oxadiazol-2-amine

5-(aminomethyl)-N-(4-ethoxy-3-fluorophenyl)-1,3,4-oxadiazol-2-amine (PubChem CID 106964549) has the molecular formula C11H13FN4O2 and a molecular weight of 252.25 g/mol. Its IUPAC name is 5-(aminomethyl)-N-(4-ethoxy-3-fluorophenyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(aminomethyl)-N-(4-ethoxy-3-fluorophenyl)-1,3,4-oxadiazol-2-amine
PubChem CID106964549
Molecular FormulaC11H13FN4O2
Molecular Weight252.25 g/mol
Exact Mass252.10
IUPAC Name5-(aminomethyl)-N-(4-ethoxy-3-fluorophenyl)-1,3,4-oxadiazol-2-amine
SMILESCCOc1ccc(Nc2nnc(CN)o2)cc1F
InChIInChI=1S/C11H13FN4O2/c1-2-17-9-4-3-7(5-8(9)12)14-11-16-15-10(6-13)18-11/h3-5H,2,6,13H2,1H3,(H,14,16)
InChIKeyJJFWMVCVDOQZQP-UHFFFAOYSA-N
XLogP1.81
TPSA86.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.25
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(cyclopropylamino)methyl]-N-(4-ethoxy-3-fluorophenyl)-1,3,4-oxadiazol-2-amine
CID 106964553
5-N-(4-ethoxy-3-fluorophenyl)pyridine-2,5-diamine
CID 113399696
5-(aminomethyl)-N-(3,4-dichlorophenyl)-1,3,4-oxadiazol-2-amine
CID 106966767
4-ethoxy-3-fluoro-N-methylaniline
CID 68516738
N-(chloromethyl)-4-ethoxy-3-fluoroaniline
CID 115262696
4-ethoxy-N-ethyl-3-fluoroaniline
CID 82490729
4,6-dichloro-N-(4-ethoxy-3-fluorophenyl)-1,3,5-triazin-2-amine
CID 113399790
N-(3,4-difluorophenyl)-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106967871
N-(2-chloroethyl)-4-ethoxy-3-fluoroaniline
CID 115214595
N-(4-ethoxy-3-fluorophenyl)-1-propan-2-ylimidazol-2-amine
CID 106579930
5-N-(4-ethoxy-3-fluorophenyl)-3-N-ethylpyridine-3,5-diamine
CID 104535772
N-(3,4-dimethoxyphenyl)-5-(ethylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106966611

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-(4-ethoxy-3-fluorophenyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(aminomethyl)-N-(4-ethoxy-3-fluorophenyl)-1,3,4-oxadiazol-2-amine (CID 106964549) is 5-(aminomethyl)-N-(4-ethoxy-3-fluorophenyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(aminomethyl)-N-(4-ethoxy-3-fluorophenyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(aminomethyl)-N-(4-ethoxy-3-fluorophenyl)-1,3,4-oxadiazol-2-amine is CCOc1ccc(Nc2nnc(CN)o2)cc1F.
What is the InChIKey of 5-(aminomethyl)-N-(4-ethoxy-3-fluorophenyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is JJFWMVCVDOQZQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN4O2/c1-2-17-9-4-3-7(5-8(9)12)14-11-16-15-10(6-13)18-11/h3-5H,2,6,13H2,1H3,(H,14,16).
What are the key properties of 5-(aminomethyl)-N-(4-ethoxy-3-fluorophenyl)-1,3,4-oxadiazol-2-amine?
5-(aminomethyl)-N-(4-ethoxy-3-fluorophenyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 252.25 g/mol, XLogP of 1.81, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-(4-ethoxy-3-fluorophenyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106964549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).