N-[[3-(2-aminopropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-ethyl-4-fluoroaniline;hydrochloride

C14H20ClFN4O — CID 119929750

IUPACN-[[3-(2-aminopropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-ethyl-4-fluoroaniline;hydrochloride
SMILESCCN(Cc1nc(C(C)(C)N)no1)c1ccc(F)cc1.Cl
InChIInChI=1S/C14H19FN4O.ClH/c1-4-19(11-7-5-10(15)6-8-11)9-12-17-13(18-20-12)14(2,3)16;/h5-8H,4,9,16H2,1-3H3;1H
InChIKeyZYPGVBCYUCQCMO-UHFFFAOYSA-N
MW314.79 g/mol
LogP2.85
Rot. Bonds5

About N-[[3-(2-aminopropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-ethyl-4-fluoroaniline;hydrochloride

N-[[3-(2-aminopropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-ethyl-4-fluoroaniline;hydrochloride (PubChem CID 119929750) has the molecular formula C14H20ClFN4O and a molecular weight of 314.79 g/mol. Its IUPAC name is N-[[3-(2-aminopropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-ethyl-4-fluoroaniline;hydrochloride.

Molecular Properties

Compound NameN-[[3-(2-aminopropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-ethyl-4-fluoroaniline;hydrochloride
PubChem CID119929750
Molecular FormulaC14H20ClFN4O
Molecular Weight314.79 g/mol
Exact Mass314.13
IUPAC NameN-[[3-(2-aminopropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-ethyl-4-fluoroaniline;hydrochloride
SMILESCCN(Cc1nc(C(C)(C)N)no1)c1ccc(F)cc1.Cl
InChIInChI=1S/C14H19FN4O.ClH/c1-4-19(11-7-5-10(15)6-8-11)9-12-17-13(18-20-12)14(2,3)16;/h5-8H,4,9,16H2,1-3H3;1H
InChIKeyZYPGVBCYUCQCMO-UHFFFAOYSA-N
XLogP2.85
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.79
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-aminopropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-ethyl-4-fluoroaniline;hydrochloride?
The IUPAC name of N-[[3-(2-aminopropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-ethyl-4-fluoroaniline;hydrochloride (CID 119929750) is N-[[3-(2-aminopropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-ethyl-4-fluoroaniline;hydrochloride.
What is the SMILES notation for N-[[3-(2-aminopropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-ethyl-4-fluoroaniline;hydrochloride?
The canonical SMILES for N-[[3-(2-aminopropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-ethyl-4-fluoroaniline;hydrochloride is CCN(Cc1nc(C(C)(C)N)no1)c1ccc(F)cc1.Cl.
What is the InChIKey of N-[[3-(2-aminopropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-ethyl-4-fluoroaniline;hydrochloride?
The InChIKey is ZYPGVBCYUCQCMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN4O.ClH/c1-4-19(11-7-5-10(15)6-8-11)9-12-17-13(18-20-12)14(2,3)16;/h5-8H,4,9,16H2,1-3H3;1H.
What are the key properties of N-[[3-(2-aminopropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-ethyl-4-fluoroaniline;hydrochloride?
N-[[3-(2-aminopropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-ethyl-4-fluoroaniline;hydrochloride has a molecular weight of 314.79 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-aminopropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-ethyl-4-fluoroaniline;hydrochloride is sourced from PubChem (CID 119929750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).