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

C14H16FN3O — CID 75415876

IUPACN-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-ethyl-4-fluoroaniline
SMILESCCN(Cc1nc(C2CC2)no1)c1ccc(F)cc1
InChIInChI=1S/C14H16FN3O/c1-2-18(12-7-5-11(15)6-8-12)9-13-16-14(17-19-13)10-3-4-10/h5-8,10H,2-4,9H2,1H3
InChIKeyYWHFSSXPOASWMZ-UHFFFAOYSA-N
MW261.30 g/mol
LogP3.11
Rot. Bonds5

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

N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-ethyl-4-fluoroaniline (PubChem CID 75415876) has the molecular formula C14H16FN3O and a molecular weight of 261.30 g/mol. Its IUPAC name is N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-ethyl-4-fluoroaniline.

Molecular Properties

Compound NameN-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-ethyl-4-fluoroaniline
PubChem CID75415876
Molecular FormulaC14H16FN3O
Molecular Weight261.30 g/mol
Exact Mass261.13
IUPAC NameN-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-ethyl-4-fluoroaniline
SMILESCCN(Cc1nc(C2CC2)no1)c1ccc(F)cc1
InChIInChI=1S/C14H16FN3O/c1-2-18(12-7-5-11(15)6-8-12)9-13-16-14(17-19-13)10-3-4-10/h5-8,10H,2-4,9H2,1H3
InChIKeyYWHFSSXPOASWMZ-UHFFFAOYSA-N
XLogP3.11
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-ethyl-4-fluoroaniline?
The IUPAC name of N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-ethyl-4-fluoroaniline (CID 75415876) is N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-ethyl-4-fluoroaniline.
What is the SMILES notation for N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-ethyl-4-fluoroaniline?
The canonical SMILES for N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-ethyl-4-fluoroaniline is CCN(Cc1nc(C2CC2)no1)c1ccc(F)cc1.
What is the InChIKey of N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-ethyl-4-fluoroaniline?
The InChIKey is YWHFSSXPOASWMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O/c1-2-18(12-7-5-11(15)6-8-12)9-13-16-14(17-19-13)10-3-4-10/h5-8,10H,2-4,9H2,1H3.
What are the key properties of N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-ethyl-4-fluoroaniline?
N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-ethyl-4-fluoroaniline has a molecular weight of 261.30 g/mol, XLogP of 3.11, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-ethyl-4-fluoroaniline is sourced from PubChem (CID 75415876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).