[5-(4-fluorophenyl)thiophen-2-yl] N-[2-[methyl-(1-methylpiperidin-4-yl)amino]-1,3-benzoxazol-5-yl]carbamate

C25H25FN4O3S — CID 69125013

About [5-(4-fluorophenyl)thiophen-2-yl] N-[2-[methyl-(1-methylpiperidin-4-yl)amino]-1,3-benzoxazol-5-yl]carbamate

[5-(4-fluorophenyl)thiophen-2-yl] N-[2-[methyl-(1-methylpiperidin-4-yl)amino]-1,3-benzoxazol-5-yl]carbamate (PubChem CID 69125013) has the molecular formula C25H25FN4O3S and a molecular weight of 480.57 g/mol. Its IUPAC name is [5-(4-fluorophenyl)thiophen-2-yl] N-[2-[methyl-(1-methylpiperidin-4-yl)amino]-1,3-benzoxazol-5-yl]carbamate.

Molecular Properties

• Compound Name: [5-(4-fluorophenyl)thiophen-2-yl] N-[2-[methyl-(1-methylpiperidin-4-yl)amino]-1,3-benzoxazol-5-yl]carbamate
• PubChem CID: 69125013
• Molecular Formula: C25H25FN4O3S
• Molecular Weight: 480.57 g/mol
• Exact Mass: 480.16
• IUPAC Name: [5-(4-fluorophenyl)thiophen-2-yl] N-[2-[methyl-(1-methylpiperidin-4-yl)amino]-1,3-benzoxazol-5-yl]carbamate
• SMILES: CN1CCC(N(C)c2nc3cc(NC(=O)Oc4ccc(-c5ccc(F)cc5)s4)ccc3o2)CC1
• InChI: InChI=1S/C25H25FN4O3S/c1-29-13-11-19(12-14-29)30(2)24-28-20-15-18(7-8-21(20)32-24)27-25(31)33-23-10-9-22(34-23)16-3-5-17(26)6-4-16/h3-10,15,19H,11-14H2,1-2H3,(H,27,31)
• InChIKey: CSOKLAPKLUYMBJ-UHFFFAOYSA-N
• XLogP: 5.84
• TPSA: 70.84 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	480.57
LogP ≤ 5	5.84
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [5-(4-fluorophenyl)thiophen-2-yl] N-[2-[methyl-(1-methylpiperidin-4-yl)amino]-1,3-benzoxazol-5-yl]carbamate?

The IUPAC name of [5-(4-fluorophenyl)thiophen-2-yl] N-[2-[methyl-(1-methylpiperidin-4-yl)amino]-1,3-benzoxazol-5-yl]carbamate (CID 69125013) is [5-(4-fluorophenyl)thiophen-2-yl] N-[2-[methyl-(1-methylpiperidin-4-yl)amino]-1,3-benzoxazol-5-yl]carbamate.

What is the SMILES notation for [5-(4-fluorophenyl)thiophen-2-yl] N-[2-[methyl-(1-methylpiperidin-4-yl)amino]-1,3-benzoxazol-5-yl]carbamate?

The canonical SMILES for [5-(4-fluorophenyl)thiophen-2-yl] N-[2-[methyl-(1-methylpiperidin-4-yl)amino]-1,3-benzoxazol-5-yl]carbamate is CN1CCC(N(C)c2nc3cc(NC(=O)Oc4ccc(-c5ccc(F)cc5)s4)ccc3o2)CC1.

What is the InChIKey of [5-(4-fluorophenyl)thiophen-2-yl] N-[2-[methyl-(1-methylpiperidin-4-yl)amino]-1,3-benzoxazol-5-yl]carbamate?

The InChIKey is CSOKLAPKLUYMBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN4O3S/c1-29-13-11-19(12-14-29)30(2)24-28-20-15-18(7-8-21(20)32-24)27-25(31)33-23-10-9-22(34-23)16-3-5-17(26)6-4-16/h3-10,15,19H,11-14H2,1-2H3,(H,27,31).

What are the key properties of [5-(4-fluorophenyl)thiophen-2-yl] N-[2-[methyl-(1-methylpiperidin-4-yl)amino]-1,3-benzoxazol-5-yl]carbamate?

[5-(4-fluorophenyl)thiophen-2-yl] N-[2-[methyl-(1-methylpiperidin-4-yl)amino]-1,3-benzoxazol-5-yl]carbamate has a molecular weight of 480.57 g/mol, XLogP of 5.84, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [5-(4-fluorophenyl)thiophen-2-yl] N-[2-[methyl-(1-methylpiperidin-4-yl)amino]-1,3-benzoxazol-5-yl]carbamate is sourced from PubChem (CID 69125013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).