N-[(4-fluorophenyl)methyl]-5-[(2-methoxyethylamino)methyl]-N-methyl-1,3,4-oxadiazol-2-amine

C14H19FN4O2 — CID 106960171

IUPACN-[(4-fluorophenyl)methyl]-5-[(2-methoxyethylamino)methyl]-N-methyl-1,3,4-oxadiazol-2-amine
SMILESCOCCNCc1nnc(N(C)Cc2ccc(F)cc2)o1
InChIInChI=1S/C14H19FN4O2/c1-19(10-11-3-5-12(15)6-4-11)14-18-17-13(21-14)9-16-7-8-20-2/h3-6,16H,7-10H2,1-2H3
InChIKeyVEWRHHUHSRVSHL-UHFFFAOYSA-N
MW294.33 g/mol
LogP1.58
Rot. Bonds8

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

N-[(4-fluorophenyl)methyl]-5-[(2-methoxyethylamino)methyl]-N-methyl-1,3,4-oxadiazol-2-amine (PubChem CID 106960171) has the molecular formula C14H19FN4O2 and a molecular weight of 294.33 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-5-[(2-methoxyethylamino)methyl]-N-methyl-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-5-[(2-methoxyethylamino)methyl]-N-methyl-1,3,4-oxadiazol-2-amine
PubChem CID106960171
Molecular FormulaC14H19FN4O2
Molecular Weight294.33 g/mol
Exact Mass294.15
IUPAC NameN-[(4-fluorophenyl)methyl]-5-[(2-methoxyethylamino)methyl]-N-methyl-1,3,4-oxadiazol-2-amine
SMILESCOCCNCc1nnc(N(C)Cc2ccc(F)cc2)o1
InChIInChI=1S/C14H19FN4O2/c1-19(10-11-3-5-12(15)6-4-11)14-18-17-13(21-14)9-16-7-8-20-2/h3-6,16H,7-10H2,1-2H3
InChIKeyVEWRHHUHSRVSHL-UHFFFAOYSA-N
XLogP1.58
TPSA63.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-5-[(2-methoxyethylamino)methyl]-N-methyl-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-[(4-fluorophenyl)methyl]-5-[(2-methoxyethylamino)methyl]-N-methyl-1,3,4-oxadiazol-2-amine (CID 106960171) is N-[(4-fluorophenyl)methyl]-5-[(2-methoxyethylamino)methyl]-N-methyl-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-5-[(2-methoxyethylamino)methyl]-N-methyl-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-5-[(2-methoxyethylamino)methyl]-N-methyl-1,3,4-oxadiazol-2-amine is COCCNCc1nnc(N(C)Cc2ccc(F)cc2)o1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-5-[(2-methoxyethylamino)methyl]-N-methyl-1,3,4-oxadiazol-2-amine?
The InChIKey is VEWRHHUHSRVSHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN4O2/c1-19(10-11-3-5-12(15)6-4-11)14-18-17-13(21-14)9-16-7-8-20-2/h3-6,16H,7-10H2,1-2H3.
What are the key properties of N-[(4-fluorophenyl)methyl]-5-[(2-methoxyethylamino)methyl]-N-methyl-1,3,4-oxadiazol-2-amine?
N-[(4-fluorophenyl)methyl]-5-[(2-methoxyethylamino)methyl]-N-methyl-1,3,4-oxadiazol-2-amine has a molecular weight of 294.33 g/mol, XLogP of 1.58, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-5-[(2-methoxyethylamino)methyl]-N-methyl-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106960171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).