N-[(2,6-dimethoxyphenyl)methyl]-1-[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methanamine

C19H19FN2O3 — CID 56675613

IUPACN-[(2,6-dimethoxyphenyl)methyl]-1-[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methanamine
SMILESCOc1cccc(OC)c1CNCc1coc(-c2cccc(F)c2)n1
InChIInChI=1S/C19H19FN2O3/c1-23-17-7-4-8-18(24-2)16(17)11-21-10-15-12-25-19(22-15)13-5-3-6-14(20)9-13/h3-9,12,21H,10-11H2,1-2H3
InChIKeyBRPIWZOVICQKCJ-UHFFFAOYSA-N
MW342.37 g/mol
LogP3.79
Rot. Bonds7

About N-[(2,6-dimethoxyphenyl)methyl]-1-[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methanamine

N-[(2,6-dimethoxyphenyl)methyl]-1-[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methanamine (PubChem CID 56675613) has the molecular formula C19H19FN2O3 and a molecular weight of 342.37 g/mol. Its IUPAC name is N-[(2,6-dimethoxyphenyl)methyl]-1-[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methanamine.

Molecular Properties

Compound NameN-[(2,6-dimethoxyphenyl)methyl]-1-[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methanamine
PubChem CID56675613
Molecular FormulaC19H19FN2O3
Molecular Weight342.37 g/mol
Exact Mass342.14
IUPAC NameN-[(2,6-dimethoxyphenyl)methyl]-1-[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methanamine
SMILESCOc1cccc(OC)c1CNCc1coc(-c2cccc(F)c2)n1
InChIInChI=1S/C19H19FN2O3/c1-23-17-7-4-8-18(24-2)16(17)11-21-10-15-12-25-19(22-15)13-5-3-6-14(20)9-13/h3-9,12,21H,10-11H2,1-2H3
InChIKeyBRPIWZOVICQKCJ-UHFFFAOYSA-N
XLogP3.79
TPSA56.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2,6-dimethoxyphenyl)methyl]-1-[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methanamine?
The IUPAC name of N-[(2,6-dimethoxyphenyl)methyl]-1-[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methanamine (CID 56675613) is N-[(2,6-dimethoxyphenyl)methyl]-1-[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methanamine.
What is the SMILES notation for N-[(2,6-dimethoxyphenyl)methyl]-1-[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methanamine?
The canonical SMILES for N-[(2,6-dimethoxyphenyl)methyl]-1-[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methanamine is COc1cccc(OC)c1CNCc1coc(-c2cccc(F)c2)n1.
What is the InChIKey of N-[(2,6-dimethoxyphenyl)methyl]-1-[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methanamine?
The InChIKey is BRPIWZOVICQKCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O3/c1-23-17-7-4-8-18(24-2)16(17)11-21-10-15-12-25-19(22-15)13-5-3-6-14(20)9-13/h3-9,12,21H,10-11H2,1-2H3.
What are the key properties of N-[(2,6-dimethoxyphenyl)methyl]-1-[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methanamine?
N-[(2,6-dimethoxyphenyl)methyl]-1-[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methanamine has a molecular weight of 342.37 g/mol, XLogP of 3.79, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-dimethoxyphenyl)methyl]-1-[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methanamine is sourced from PubChem (CID 56675613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).