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

C21H23FN2O2S — CID 126800943

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

N-[(4-fluorophenyl)methyl]-N-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]oxan-4-amine (PubChem CID 126800943) has the molecular formula C21H23FN2O2S and a molecular weight of 386.49 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-N-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]oxan-4-amine.

Molecular Properties

• Compound Name: N-[(4-fluorophenyl)methyl]-N-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]oxan-4-amine
• PubChem CID: 126800943
• Molecular Formula: C21H23FN2O2S
• Molecular Weight: 386.49 g/mol
• Exact Mass: 386.15
• IUPAC Name: N-[(4-fluorophenyl)methyl]-N-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]oxan-4-amine
• SMILES: Cc1oc(-c2ccsc2)nc1CN(Cc1ccc(F)cc1)C1CCOCC1
• InChI: InChI=1S/C21H23FN2O2S/c1-15-20(23-21(26-15)17-8-11-27-14-17)13-24(19-6-9-25-10-7-19)12-16-2-4-18(22)5-3-16/h2-5,8,11,14,19H,6-7,9-10,12-13H2,1H3
• InChIKey: ZYAJMPBATZKYJV-UHFFFAOYSA-N
• XLogP: 5.03
• TPSA: 38.50 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	386.49
LogP ≤ 5	5.03
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-N-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]oxan-4-amine?

The IUPAC name of N-[(4-fluorophenyl)methyl]-N-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]oxan-4-amine (CID 126800943) is N-[(4-fluorophenyl)methyl]-N-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]oxan-4-amine.

What is the SMILES notation for N-[(4-fluorophenyl)methyl]-N-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]oxan-4-amine?

The canonical SMILES for N-[(4-fluorophenyl)methyl]-N-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]oxan-4-amine is Cc1oc(-c2ccsc2)nc1CN(Cc1ccc(F)cc1)C1CCOCC1.

What is the InChIKey of N-[(4-fluorophenyl)methyl]-N-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]oxan-4-amine?

The InChIKey is ZYAJMPBATZKYJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN2O2S/c1-15-20(23-21(26-15)17-8-11-27-14-17)13-24(19-6-9-25-10-7-19)12-16-2-4-18(22)5-3-16/h2-5,8,11,14,19H,6-7,9-10,12-13H2,1H3.

What are the key properties of N-[(4-fluorophenyl)methyl]-N-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]oxan-4-amine?

N-[(4-fluorophenyl)methyl]-N-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]oxan-4-amine has a molecular weight of 386.49 g/mol, XLogP of 5.03, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4-fluorophenyl)methyl]-N-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]oxan-4-amine is sourced from PubChem (CID 126800943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).