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

C17H24FN3O2 — CID 24714494

IUPACN,N-diethyl-3-(4-fluorophenyl)-4-[(2-methoxyethylamino)methyl]-1,2-oxazol-5-amine
SMILESCCN(CC)c1onc(-c2ccc(F)cc2)c1CNCCOC
InChIInChI=1S/C17H24FN3O2/c1-4-21(5-2)17-15(12-19-10-11-22-3)16(20-23-17)13-6-8-14(18)9-7-13/h6-9,19H,4-5,10-12H2,1-3H3
InChIKeyAUFHFQUVNMICEZ-UHFFFAOYSA-N
MW321.40 g/mol
LogP3.06
Rot. Bonds9

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

N,N-diethyl-3-(4-fluorophenyl)-4-[(2-methoxyethylamino)methyl]-1,2-oxazol-5-amine (PubChem CID 24714494) has the molecular formula C17H24FN3O2 and a molecular weight of 321.40 g/mol. Its IUPAC name is N,N-diethyl-3-(4-fluorophenyl)-4-[(2-methoxyethylamino)methyl]-1,2-oxazol-5-amine.

Molecular Properties

Compound NameN,N-diethyl-3-(4-fluorophenyl)-4-[(2-methoxyethylamino)methyl]-1,2-oxazol-5-amine
PubChem CID24714494
Molecular FormulaC17H24FN3O2
Molecular Weight321.40 g/mol
Exact Mass321.19
IUPAC NameN,N-diethyl-3-(4-fluorophenyl)-4-[(2-methoxyethylamino)methyl]-1,2-oxazol-5-amine
SMILESCCN(CC)c1onc(-c2ccc(F)cc2)c1CNCCOC
InChIInChI=1S/C17H24FN3O2/c1-4-21(5-2)17-15(12-19-10-11-22-3)16(20-23-17)13-6-8-14(18)9-7-13/h6-9,19H,4-5,10-12H2,1-3H3
InChIKeyAUFHFQUVNMICEZ-UHFFFAOYSA-N
XLogP3.06
TPSA50.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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,N-diethyl-3-(4-fluorophenyl)-4-[(2-methoxyethylamino)methyl]-1,2-oxazol-5-amine?
The IUPAC name of N,N-diethyl-3-(4-fluorophenyl)-4-[(2-methoxyethylamino)methyl]-1,2-oxazol-5-amine (CID 24714494) is N,N-diethyl-3-(4-fluorophenyl)-4-[(2-methoxyethylamino)methyl]-1,2-oxazol-5-amine.
What is the SMILES notation for N,N-diethyl-3-(4-fluorophenyl)-4-[(2-methoxyethylamino)methyl]-1,2-oxazol-5-amine?
The canonical SMILES for N,N-diethyl-3-(4-fluorophenyl)-4-[(2-methoxyethylamino)methyl]-1,2-oxazol-5-amine is CCN(CC)c1onc(-c2ccc(F)cc2)c1CNCCOC.
What is the InChIKey of N,N-diethyl-3-(4-fluorophenyl)-4-[(2-methoxyethylamino)methyl]-1,2-oxazol-5-amine?
The InChIKey is AUFHFQUVNMICEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN3O2/c1-4-21(5-2)17-15(12-19-10-11-22-3)16(20-23-17)13-6-8-14(18)9-7-13/h6-9,19H,4-5,10-12H2,1-3H3.
What are the key properties of N,N-diethyl-3-(4-fluorophenyl)-4-[(2-methoxyethylamino)methyl]-1,2-oxazol-5-amine?
N,N-diethyl-3-(4-fluorophenyl)-4-[(2-methoxyethylamino)methyl]-1,2-oxazol-5-amine has a molecular weight of 321.40 g/mol, XLogP of 3.06, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-(4-fluorophenyl)-4-[(2-methoxyethylamino)methyl]-1,2-oxazol-5-amine is sourced from PubChem (CID 24714494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).