7-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]-1-(1,2-oxazol-3-yl)heptan-1-one;N-methylmethanamine

C21H26FN3O3 — CID 153399898

IUPAC7-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]-1-(1,2-oxazol-3-yl)heptan-1-one;N-methylmethanamine
SMILESCNC.O=C(CCCCCCc1cc(-c2ccc(F)cc2)on1)c1ccon1
InChIInChI=1S/C19H19FN2O3.C2H7N/c20-15-9-7-14(8-10-15)19-13-16(21-25-19)5-3-1-2-4-6-18(23)17-11-12-24-22-17;1-3-2/h7-13H,1-6H2;3H,1-2H3
InChIKeyYSSQPWJBPPXUJT-UHFFFAOYSA-N
MW387.46 g/mol
LogP4.68
Rot. Bonds9

About 7-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]-1-(1,2-oxazol-3-yl)heptan-1-one;N-methylmethanamine

7-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]-1-(1,2-oxazol-3-yl)heptan-1-one;N-methylmethanamine (PubChem CID 153399898) has the molecular formula C21H26FN3O3 and a molecular weight of 387.46 g/mol. Its IUPAC name is 7-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]-1-(1,2-oxazol-3-yl)heptan-1-one;N-methylmethanamine.

Molecular Properties

Compound Name7-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]-1-(1,2-oxazol-3-yl)heptan-1-one;N-methylmethanamine
PubChem CID153399898
Molecular FormulaC21H26FN3O3
Molecular Weight387.46 g/mol
Exact Mass387.20
IUPAC Name7-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]-1-(1,2-oxazol-3-yl)heptan-1-one;N-methylmethanamine
SMILESCNC.O=C(CCCCCCc1cc(-c2ccc(F)cc2)on1)c1ccon1
InChIInChI=1S/C19H19FN2O3.C2H7N/c20-15-9-7-14(8-10-15)19-13-16(21-25-19)5-3-1-2-4-6-18(23)17-11-12-24-22-17;1-3-2/h7-13H,1-6H2;3H,1-2H3
InChIKeyYSSQPWJBPPXUJT-UHFFFAOYSA-N
XLogP4.68
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 54.68
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 7-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]-1-(1,2-oxazol-3-yl)heptan-1-one;N-methylmethanamine?
The IUPAC name of 7-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]-1-(1,2-oxazol-3-yl)heptan-1-one;N-methylmethanamine (CID 153399898) is 7-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]-1-(1,2-oxazol-3-yl)heptan-1-one;N-methylmethanamine.
What is the SMILES notation for 7-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]-1-(1,2-oxazol-3-yl)heptan-1-one;N-methylmethanamine?
The canonical SMILES for 7-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]-1-(1,2-oxazol-3-yl)heptan-1-one;N-methylmethanamine is CNC.O=C(CCCCCCc1cc(-c2ccc(F)cc2)on1)c1ccon1.
What is the InChIKey of 7-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]-1-(1,2-oxazol-3-yl)heptan-1-one;N-methylmethanamine?
The InChIKey is YSSQPWJBPPXUJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O3.C2H7N/c20-15-9-7-14(8-10-15)19-13-16(21-25-19)5-3-1-2-4-6-18(23)17-11-12-24-22-17;1-3-2/h7-13H,1-6H2;3H,1-2H3.
What are the key properties of 7-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]-1-(1,2-oxazol-3-yl)heptan-1-one;N-methylmethanamine?
7-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]-1-(1,2-oxazol-3-yl)heptan-1-one;N-methylmethanamine has a molecular weight of 387.46 g/mol, XLogP of 4.68, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]-1-(1,2-oxazol-3-yl)heptan-1-one;N-methylmethanamine is sourced from PubChem (CID 153399898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).