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

C11H11F2N3O2 — CID 137343553

IUPACN-[(2,4-difluorophenyl)methyl]-5-(methoxymethyl)-1,3,4-oxadiazol-2-amine
SMILESCOCc1nnc(NCc2ccc(F)cc2F)o1
InChIInChI=1S/C11H11F2N3O2/c1-17-6-10-15-16-11(18-10)14-5-7-2-3-8(12)4-9(7)13/h2-4H,5-6H2,1H3,(H,14,16)
InChIKeyCYBNUJIUKAUHCD-UHFFFAOYSA-N
MW255.22 g/mol
LogP2.11
Rot. Bonds5

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

N-[(2,4-difluorophenyl)methyl]-5-(methoxymethyl)-1,3,4-oxadiazol-2-amine (PubChem CID 137343553) has the molecular formula C11H11F2N3O2 and a molecular weight of 255.22 g/mol. Its IUPAC name is N-[(2,4-difluorophenyl)methyl]-5-(methoxymethyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-[(2,4-difluorophenyl)methyl]-5-(methoxymethyl)-1,3,4-oxadiazol-2-amine
PubChem CID137343553
Molecular FormulaC11H11F2N3O2
Molecular Weight255.22 g/mol
Exact Mass255.08
IUPAC NameN-[(2,4-difluorophenyl)methyl]-5-(methoxymethyl)-1,3,4-oxadiazol-2-amine
SMILESCOCc1nnc(NCc2ccc(F)cc2F)o1
InChIInChI=1S/C11H11F2N3O2/c1-17-6-10-15-16-11(18-10)14-5-7-2-3-8(12)4-9(7)13/h2-4H,5-6H2,1H3,(H,14,16)
InChIKeyCYBNUJIUKAUHCD-UHFFFAOYSA-N
XLogP2.11
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.22
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2,4-difluorophenyl)methyl]-5-(methoxymethyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-[(2,4-difluorophenyl)methyl]-5-(methoxymethyl)-1,3,4-oxadiazol-2-amine (CID 137343553) is N-[(2,4-difluorophenyl)methyl]-5-(methoxymethyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-[(2,4-difluorophenyl)methyl]-5-(methoxymethyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-[(2,4-difluorophenyl)methyl]-5-(methoxymethyl)-1,3,4-oxadiazol-2-amine is COCc1nnc(NCc2ccc(F)cc2F)o1.
What is the InChIKey of N-[(2,4-difluorophenyl)methyl]-5-(methoxymethyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is CYBNUJIUKAUHCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2N3O2/c1-17-6-10-15-16-11(18-10)14-5-7-2-3-8(12)4-9(7)13/h2-4H,5-6H2,1H3,(H,14,16).
What are the key properties of N-[(2,4-difluorophenyl)methyl]-5-(methoxymethyl)-1,3,4-oxadiazol-2-amine?
N-[(2,4-difluorophenyl)methyl]-5-(methoxymethyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 255.22 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-difluorophenyl)methyl]-5-(methoxymethyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 137343553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).