4-[3-[(2,4-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-methyloxolan-3-amine

C14H15F2N3O2 — CID 66236033

IUPAC4-[3-[(2,4-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-methyloxolan-3-amine
SMILESCNC1COCC1c1nc(Cc2ccc(F)cc2F)no1
InChIInChI=1S/C14H15F2N3O2/c1-17-12-7-20-6-10(12)14-18-13(19-21-14)4-8-2-3-9(15)5-11(8)16/h2-3,5,10,12,17H,4,6-7H2,1H3
InChIKeyUATRYXUNHHVWIA-UHFFFAOYSA-N
MW295.29 g/mol
LogP1.64
Rot. Bonds4

About 4-[3-[(2,4-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-methyloxolan-3-amine

4-[3-[(2,4-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-methyloxolan-3-amine (PubChem CID 66236033) has the molecular formula C14H15F2N3O2 and a molecular weight of 295.29 g/mol. Its IUPAC name is 4-[3-[(2,4-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-methyloxolan-3-amine.

Molecular Properties

Compound Name4-[3-[(2,4-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-methyloxolan-3-amine
PubChem CID66236033
Molecular FormulaC14H15F2N3O2
Molecular Weight295.29 g/mol
Exact Mass295.11
IUPAC Name4-[3-[(2,4-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-methyloxolan-3-amine
SMILESCNC1COCC1c1nc(Cc2ccc(F)cc2F)no1
InChIInChI=1S/C14H15F2N3O2/c1-17-12-7-20-6-10(12)14-18-13(19-21-14)4-8-2-3-9(15)5-11(8)16/h2-3,5,10,12,17H,4,6-7H2,1H3
InChIKeyUATRYXUNHHVWIA-UHFFFAOYSA-N
XLogP1.64
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.29
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[(2,4-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-methyloxolan-3-amine?
The IUPAC name of 4-[3-[(2,4-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-methyloxolan-3-amine (CID 66236033) is 4-[3-[(2,4-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-methyloxolan-3-amine.
What is the SMILES notation for 4-[3-[(2,4-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-methyloxolan-3-amine?
The canonical SMILES for 4-[3-[(2,4-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-methyloxolan-3-amine is CNC1COCC1c1nc(Cc2ccc(F)cc2F)no1.
What is the InChIKey of 4-[3-[(2,4-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-methyloxolan-3-amine?
The InChIKey is UATRYXUNHHVWIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2N3O2/c1-17-12-7-20-6-10(12)14-18-13(19-21-14)4-8-2-3-9(15)5-11(8)16/h2-3,5,10,12,17H,4,6-7H2,1H3.
What are the key properties of 4-[3-[(2,4-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-methyloxolan-3-amine?
4-[3-[(2,4-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-methyloxolan-3-amine has a molecular weight of 295.29 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(2,4-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-methyloxolan-3-amine is sourced from PubChem (CID 66236033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).