5-[3-(aminomethyl)phenyl]-N-(4-fluorophenyl)-1,3-oxazol-2-amine

C16H14FN3O — CID 139441286

IUPAC5-[3-(aminomethyl)phenyl]-N-(4-fluorophenyl)-1,3-oxazol-2-amine
SMILESNCc1cccc(-c2cnc(Nc3ccc(F)cc3)o2)c1
InChIInChI=1S/C16H14FN3O/c17-13-4-6-14(7-5-13)20-16-19-10-15(21-16)12-3-1-2-11(8-12)9-18/h1-8,10H,9,18H2,(H,19,20)
InChIKeyTXOUHBYKFWXJCD-UHFFFAOYSA-N
MW283.31 g/mol
LogP3.68
Rot. Bonds4

About 5-[3-(aminomethyl)phenyl]-N-(4-fluorophenyl)-1,3-oxazol-2-amine

5-[3-(aminomethyl)phenyl]-N-(4-fluorophenyl)-1,3-oxazol-2-amine (PubChem CID 139441286) has the molecular formula C16H14FN3O and a molecular weight of 283.31 g/mol. Its IUPAC name is 5-[3-(aminomethyl)phenyl]-N-(4-fluorophenyl)-1,3-oxazol-2-amine.

Molecular Properties

Compound Name5-[3-(aminomethyl)phenyl]-N-(4-fluorophenyl)-1,3-oxazol-2-amine
PubChem CID139441286
Molecular FormulaC16H14FN3O
Molecular Weight283.31 g/mol
Exact Mass283.11
IUPAC Name5-[3-(aminomethyl)phenyl]-N-(4-fluorophenyl)-1,3-oxazol-2-amine
SMILESNCc1cccc(-c2cnc(Nc3ccc(F)cc3)o2)c1
InChIInChI=1S/C16H14FN3O/c17-13-4-6-14(7-5-13)20-16-19-10-15(21-16)12-3-1-2-11(8-12)9-18/h1-8,10H,9,18H2,(H,19,20)
InChIKeyTXOUHBYKFWXJCD-UHFFFAOYSA-N
XLogP3.68
TPSA64.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.31
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(aminomethyl)phenyl]-N-(4-fluorophenyl)-1,3-oxazol-2-amine?
The IUPAC name of 5-[3-(aminomethyl)phenyl]-N-(4-fluorophenyl)-1,3-oxazol-2-amine (CID 139441286) is 5-[3-(aminomethyl)phenyl]-N-(4-fluorophenyl)-1,3-oxazol-2-amine.
What is the SMILES notation for 5-[3-(aminomethyl)phenyl]-N-(4-fluorophenyl)-1,3-oxazol-2-amine?
The canonical SMILES for 5-[3-(aminomethyl)phenyl]-N-(4-fluorophenyl)-1,3-oxazol-2-amine is NCc1cccc(-c2cnc(Nc3ccc(F)cc3)o2)c1.
What is the InChIKey of 5-[3-(aminomethyl)phenyl]-N-(4-fluorophenyl)-1,3-oxazol-2-amine?
The InChIKey is TXOUHBYKFWXJCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O/c17-13-4-6-14(7-5-13)20-16-19-10-15(21-16)12-3-1-2-11(8-12)9-18/h1-8,10H,9,18H2,(H,19,20).
What are the key properties of 5-[3-(aminomethyl)phenyl]-N-(4-fluorophenyl)-1,3-oxazol-2-amine?
5-[3-(aminomethyl)phenyl]-N-(4-fluorophenyl)-1,3-oxazol-2-amine has a molecular weight of 283.31 g/mol, XLogP of 3.68, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(aminomethyl)phenyl]-N-(4-fluorophenyl)-1,3-oxazol-2-amine is sourced from PubChem (CID 139441286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).