4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-propyloxolan-3-amine

C15H18FN3O2 — CID 66251331

IUPAC4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-propyloxolan-3-amine
SMILESCCCNC1COCC1c1nc(-c2ccc(F)cc2)no1
InChIInChI=1S/C15H18FN3O2/c1-2-7-17-13-9-20-8-12(13)15-18-14(19-21-15)10-3-5-11(16)6-4-10/h3-6,12-13,17H,2,7-9H2,1H3
InChIKeyBUUOFUNITCELRV-UHFFFAOYSA-N
MW291.33 g/mol
LogP2.36
Rot. Bonds5

About 4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-propyloxolan-3-amine

4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-propyloxolan-3-amine (PubChem CID 66251331) has the molecular formula C15H18FN3O2 and a molecular weight of 291.33 g/mol. Its IUPAC name is 4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-propyloxolan-3-amine.

Molecular Properties

Compound Name4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-propyloxolan-3-amine
PubChem CID66251331
Molecular FormulaC15H18FN3O2
Molecular Weight291.33 g/mol
Exact Mass291.14
IUPAC Name4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-propyloxolan-3-amine
SMILESCCCNC1COCC1c1nc(-c2ccc(F)cc2)no1
InChIInChI=1S/C15H18FN3O2/c1-2-7-17-13-9-20-8-12(13)15-18-14(19-21-15)10-3-5-11(16)6-4-10/h3-6,12-13,17H,2,7-9H2,1H3
InChIKeyBUUOFUNITCELRV-UHFFFAOYSA-N
XLogP2.36
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-propyloxolan-3-amine?
The IUPAC name of 4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-propyloxolan-3-amine (CID 66251331) is 4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-propyloxolan-3-amine.
What is the SMILES notation for 4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-propyloxolan-3-amine?
The canonical SMILES for 4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-propyloxolan-3-amine is CCCNC1COCC1c1nc(-c2ccc(F)cc2)no1.
What is the InChIKey of 4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-propyloxolan-3-amine?
The InChIKey is BUUOFUNITCELRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O2/c1-2-7-17-13-9-20-8-12(13)15-18-14(19-21-15)10-3-5-11(16)6-4-10/h3-6,12-13,17H,2,7-9H2,1H3.
What are the key properties of 4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-propyloxolan-3-amine?
4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-propyloxolan-3-amine has a molecular weight of 291.33 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-propyloxolan-3-amine is sourced from PubChem (CID 66251331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).