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

C14H17FN2O — CID 103096795

IUPAC1-(4-fluorophenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]propan-2-amine
SMILESCc1cnc(CNC(C)Cc2ccc(F)cc2)o1
InChIInChI=1S/C14H17FN2O/c1-10(7-12-3-5-13(15)6-4-12)16-9-14-17-8-11(2)18-14/h3-6,8,10,16H,7,9H2,1-2H3
InChIKeyNARCBQYBPFCLLD-UHFFFAOYSA-N
MW248.30 g/mol
LogP2.84
Rot. Bonds5

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

1-(4-fluorophenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]propan-2-amine (PubChem CID 103096795) has the molecular formula C14H17FN2O and a molecular weight of 248.30 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]propan-2-amine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]propan-2-amine
PubChem CID103096795
Molecular FormulaC14H17FN2O
Molecular Weight248.30 g/mol
Exact Mass248.13
IUPAC Name1-(4-fluorophenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]propan-2-amine
SMILESCc1cnc(CNC(C)Cc2ccc(F)cc2)o1
InChIInChI=1S/C14H17FN2O/c1-10(7-12-3-5-13(15)6-4-12)16-9-14-17-8-11(2)18-14/h3-6,8,10,16H,7,9H2,1-2H3
InChIKeyNARCBQYBPFCLLD-UHFFFAOYSA-N
XLogP2.84
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.30
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]propan-2-amine?
The IUPAC name of 1-(4-fluorophenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]propan-2-amine (CID 103096795) is 1-(4-fluorophenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]propan-2-amine.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]propan-2-amine?
The canonical SMILES for 1-(4-fluorophenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]propan-2-amine is Cc1cnc(CNC(C)Cc2ccc(F)cc2)o1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]propan-2-amine?
The InChIKey is NARCBQYBPFCLLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O/c1-10(7-12-3-5-13(15)6-4-12)16-9-14-17-8-11(2)18-14/h3-6,8,10,16H,7,9H2,1-2H3.
What are the key properties of 1-(4-fluorophenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]propan-2-amine?
1-(4-fluorophenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]propan-2-amine has a molecular weight of 248.30 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]propan-2-amine is sourced from PubChem (CID 103096795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).