N-cyclohexyl-1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidine-3-carboxamide

C21H29N3O2S — CID 20860021

About N-cyclohexyl-1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidine-3-carboxamide

N-cyclohexyl-1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidine-3-carboxamide (PubChem CID 20860021) has the molecular formula C21H29N3O2S and a molecular weight of 387.55 g/mol. Its IUPAC name is N-cyclohexyl-1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidine-3-carboxamide.

Molecular Properties

• Compound Name: N-cyclohexyl-1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidine-3-carboxamide
• PubChem CID: 20860021
• Molecular Formula: C21H29N3O2S
• Molecular Weight: 387.55 g/mol
• Exact Mass: 387.20
• IUPAC Name: N-cyclohexyl-1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidine-3-carboxamide
• SMILES: Cc1oc(-c2cccs2)nc1CN1CCCC(C(=O)NC2CCCCC2)C1
• InChI: InChI=1S/C21H29N3O2S/c1-15-18(23-21(26-15)19-10-6-12-27-19)14-24-11-5-7-16(13-24)20(25)22-17-8-3-2-4-9-17/h6,10,12,16-17H,2-5,7-9,11,13-14H2,1H3,(H,22,25)
• InChIKey: WTMDVWBDWYMXIB-UHFFFAOYSA-N
• XLogP: 4.37
• TPSA: 58.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	387.55
LogP ≤ 5	4.37
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidine-3-carboxamide?

The IUPAC name of N-cyclohexyl-1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidine-3-carboxamide (CID 20860021) is N-cyclohexyl-1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidine-3-carboxamide.

What is the SMILES notation for N-cyclohexyl-1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidine-3-carboxamide?

The canonical SMILES for N-cyclohexyl-1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidine-3-carboxamide is Cc1oc(-c2cccs2)nc1CN1CCCC(C(=O)NC2CCCCC2)C1.

What is the InChIKey of N-cyclohexyl-1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidine-3-carboxamide?

The InChIKey is WTMDVWBDWYMXIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O2S/c1-15-18(23-21(26-15)19-10-6-12-27-19)14-24-11-5-7-16(13-24)20(25)22-17-8-3-2-4-9-17/h6,10,12,16-17H,2-5,7-9,11,13-14H2,1H3,(H,22,25).

What are the key properties of N-cyclohexyl-1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidine-3-carboxamide?

N-cyclohexyl-1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidine-3-carboxamide has a molecular weight of 387.55 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclohexyl-1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 20860021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).