N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-4-(2,6-dimethylmorpholin-4-yl)-3-fluoroaniline

C19H25FN4O2 — CID 55913329

IUPACN-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-4-(2,6-dimethylmorpholin-4-yl)-3-fluoroaniline
SMILESCC1CN(c2ccc(NC(C)c3nc(C4CC4)no3)cc2F)CC(C)O1
InChIInChI=1S/C19H25FN4O2/c1-11-9-24(10-12(2)25-11)17-7-6-15(8-16(17)20)21-13(3)19-22-18(23-26-19)14-4-5-14/h6-8,11-14,21H,4-5,9-10H2,1-3H3
InChIKeyJVDLKCQXFGPIOS-UHFFFAOYSA-N
MW360.43 g/mol
LogP3.87
Rot. Bonds5

About N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-4-(2,6-dimethylmorpholin-4-yl)-3-fluoroaniline

N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-4-(2,6-dimethylmorpholin-4-yl)-3-fluoroaniline (PubChem CID 55913329) has the molecular formula C19H25FN4O2 and a molecular weight of 360.43 g/mol. Its IUPAC name is N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-4-(2,6-dimethylmorpholin-4-yl)-3-fluoroaniline.

Molecular Properties

Compound NameN-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-4-(2,6-dimethylmorpholin-4-yl)-3-fluoroaniline
PubChem CID55913329
Molecular FormulaC19H25FN4O2
Molecular Weight360.43 g/mol
Exact Mass360.20
IUPAC NameN-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-4-(2,6-dimethylmorpholin-4-yl)-3-fluoroaniline
SMILESCC1CN(c2ccc(NC(C)c3nc(C4CC4)no3)cc2F)CC(C)O1
InChIInChI=1S/C19H25FN4O2/c1-11-9-24(10-12(2)25-11)17-7-6-15(8-16(17)20)21-13(3)19-22-18(23-26-19)14-4-5-14/h6-8,11-14,21H,4-5,9-10H2,1-3H3
InChIKeyJVDLKCQXFGPIOS-UHFFFAOYSA-N
XLogP3.87
TPSA63.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.43
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-4-(2,6-dimethylmorpholin-4-yl)-3-fluoroaniline?
The IUPAC name of N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-4-(2,6-dimethylmorpholin-4-yl)-3-fluoroaniline (CID 55913329) is N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-4-(2,6-dimethylmorpholin-4-yl)-3-fluoroaniline.
What is the SMILES notation for N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-4-(2,6-dimethylmorpholin-4-yl)-3-fluoroaniline?
The canonical SMILES for N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-4-(2,6-dimethylmorpholin-4-yl)-3-fluoroaniline is CC1CN(c2ccc(NC(C)c3nc(C4CC4)no3)cc2F)CC(C)O1.
What is the InChIKey of N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-4-(2,6-dimethylmorpholin-4-yl)-3-fluoroaniline?
The InChIKey is JVDLKCQXFGPIOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN4O2/c1-11-9-24(10-12(2)25-11)17-7-6-15(8-16(17)20)21-13(3)19-22-18(23-26-19)14-4-5-14/h6-8,11-14,21H,4-5,9-10H2,1-3H3.
What are the key properties of N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-4-(2,6-dimethylmorpholin-4-yl)-3-fluoroaniline?
N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-4-(2,6-dimethylmorpholin-4-yl)-3-fluoroaniline has a molecular weight of 360.43 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-4-(2,6-dimethylmorpholin-4-yl)-3-fluoroaniline is sourced from PubChem (CID 55913329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).