N-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-1-pyridin-3-ylmethanamine

C16H14FN3O — CID 56671971

IUPACN-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-1-pyridin-3-ylmethanamine
SMILESFc1ccc(-c2nc(CNCc3cccnc3)co2)cc1
InChIInChI=1S/C16H14FN3O/c17-14-5-3-13(4-6-14)16-20-15(11-21-16)10-19-9-12-2-1-7-18-8-12/h1-8,11,19H,9-10H2
InChIKeyMELSPJJRXQOLOE-UHFFFAOYSA-N
MW283.31 g/mol
LogP3.17
Rot. Bonds5

About N-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-1-pyridin-3-ylmethanamine

N-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-1-pyridin-3-ylmethanamine (PubChem CID 56671971) has the molecular formula C16H14FN3O and a molecular weight of 283.31 g/mol. Its IUPAC name is N-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-1-pyridin-3-ylmethanamine.

Molecular Properties

Compound NameN-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-1-pyridin-3-ylmethanamine
PubChem CID56671971
Molecular FormulaC16H14FN3O
Molecular Weight283.31 g/mol
Exact Mass283.11
IUPAC NameN-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-1-pyridin-3-ylmethanamine
SMILESFc1ccc(-c2nc(CNCc3cccnc3)co2)cc1
InChIInChI=1S/C16H14FN3O/c17-14-5-3-13(4-6-14)16-20-15(11-21-16)10-19-9-12-2-1-7-18-8-12/h1-8,11,19H,9-10H2
InChIKeyMELSPJJRXQOLOE-UHFFFAOYSA-N
XLogP3.17
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.31
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-1-pyridin-3-ylmethanamine
CID 56662110
1-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-methylmethanamine
CID 60726482
N-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-2-methoxyethanamine
CID 60727772
N-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-4-phenylbutan-2-amine
CID 56677220
N-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]-1-(3-methylphenyl)methanamine
CID 56661858
1-[2-(2-phenyl-1,3-oxazol-4-yl)ethyl]-3-(pyridin-3-ylmethyl)urea
CID 60620242
1-(4-fluorophenyl)-2-(pyridin-3-ylmethylamino)ethanone
CID 82101488
N-(1,2-oxazol-3-ylmethyl)-1-pyridin-3-ylmethanamine
CID 79496321
2-(3,4-dimethoxyphenyl)-N-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]ethanamine
CID 56673253
1-(3,5-dimethoxyphenyl)-N-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]methanamine
CID 56672439
(2-pyridin-3-yl-1,3-oxazol-4-yl)methanamine
CID 82125165
2-phenyl-N-(pyridin-3-ylmethyl)-1,3-oxazole-4-carboxamide
CID 166211099

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-1-pyridin-3-ylmethanamine?
The IUPAC name of N-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-1-pyridin-3-ylmethanamine (CID 56671971) is N-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-1-pyridin-3-ylmethanamine.
What is the SMILES notation for N-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-1-pyridin-3-ylmethanamine?
The canonical SMILES for N-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-1-pyridin-3-ylmethanamine is Fc1ccc(-c2nc(CNCc3cccnc3)co2)cc1.
What is the InChIKey of N-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-1-pyridin-3-ylmethanamine?
The InChIKey is MELSPJJRXQOLOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O/c17-14-5-3-13(4-6-14)16-20-15(11-21-16)10-19-9-12-2-1-7-18-8-12/h1-8,11,19H,9-10H2.
What are the key properties of N-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-1-pyridin-3-ylmethanamine?
N-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-1-pyridin-3-ylmethanamine has a molecular weight of 283.31 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-1-pyridin-3-ylmethanamine is sourced from PubChem (CID 56671971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).