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

C15H18FN3O2 — CID 126793239

IUPAC2-(cyclopropylmethoxy)-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-4-fluoroaniline
SMILESCCc1nc(CNc2ccc(F)cc2OCC2CC2)no1
InChIInChI=1S/C15H18FN3O2/c1-2-15-18-14(19-21-15)8-17-12-6-5-11(16)7-13(12)20-9-10-3-4-10/h5-7,10,17H,2-4,8-9H2,1H3
InChIKeyWARNWECODOCPSE-UHFFFAOYSA-N
MW291.33 g/mol
LogP3.17
Rot. Bonds7

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

2-(cyclopropylmethoxy)-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-4-fluoroaniline (PubChem CID 126793239) has the molecular formula C15H18FN3O2 and a molecular weight of 291.33 g/mol. Its IUPAC name is 2-(cyclopropylmethoxy)-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-4-fluoroaniline.

Molecular Properties

Compound Name2-(cyclopropylmethoxy)-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-4-fluoroaniline
PubChem CID126793239
Molecular FormulaC15H18FN3O2
Molecular Weight291.33 g/mol
Exact Mass291.14
IUPAC Name2-(cyclopropylmethoxy)-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-4-fluoroaniline
SMILESCCc1nc(CNc2ccc(F)cc2OCC2CC2)no1
InChIInChI=1S/C15H18FN3O2/c1-2-15-18-14(19-21-15)8-17-12-6-5-11(16)7-13(12)20-9-10-3-4-10/h5-7,10,17H,2-4,8-9H2,1H3
InChIKeyWARNWECODOCPSE-UHFFFAOYSA-N
XLogP3.17
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethoxy)-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-4-fluoroaniline?
The IUPAC name of 2-(cyclopropylmethoxy)-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-4-fluoroaniline (CID 126793239) is 2-(cyclopropylmethoxy)-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-4-fluoroaniline.
What is the SMILES notation for 2-(cyclopropylmethoxy)-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-4-fluoroaniline?
The canonical SMILES for 2-(cyclopropylmethoxy)-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-4-fluoroaniline is CCc1nc(CNc2ccc(F)cc2OCC2CC2)no1.
What is the InChIKey of 2-(cyclopropylmethoxy)-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-4-fluoroaniline?
The InChIKey is WARNWECODOCPSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O2/c1-2-15-18-14(19-21-15)8-17-12-6-5-11(16)7-13(12)20-9-10-3-4-10/h5-7,10,17H,2-4,8-9H2,1H3.
What are the key properties of 2-(cyclopropylmethoxy)-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-4-fluoroaniline?
2-(cyclopropylmethoxy)-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-4-fluoroaniline has a molecular weight of 291.33 g/mol, XLogP of 3.17, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethoxy)-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-4-fluoroaniline is sourced from PubChem (CID 126793239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).