4-[1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]pyrimidin-2-amine

C18H21N5OS — CID 77097380

About 4-[1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]pyrimidin-2-amine

4-[1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]pyrimidin-2-amine (PubChem CID 77097380) has the molecular formula C18H21N5OS and a molecular weight of 355.47 g/mol. Its IUPAC name is 4-[1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]pyrimidin-2-amine.

Molecular Properties

• Compound Name: 4-[1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]pyrimidin-2-amine
• PubChem CID: 77097380
• Molecular Formula: C18H21N5OS
• Molecular Weight: 355.47 g/mol
• Exact Mass: 355.15
• IUPAC Name: 4-[1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]pyrimidin-2-amine
• SMILES: Cc1oc(-c2cccs2)nc1CN1CCC(c2ccnc(N)n2)CC1
• InChI: InChI=1S/C18H21N5OS/c1-12-15(21-17(24-12)16-3-2-10-25-16)11-23-8-5-13(6-9-23)14-4-7-20-18(19)22-14/h2-4,7,10,13H,5-6,8-9,11H2,1H3,(H2,19,20,22)
• InChIKey: YBYWXMUBQNRLRR-UHFFFAOYSA-N
• XLogP: 3.46
• TPSA: 81.07 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	355.47
LogP ≤ 5	3.46
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 4-[1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]pyrimidin-2-amine (CID 77097380) is 4-[1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]pyrimidin-2-amine.

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

The canonical SMILES for 4-[1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]pyrimidin-2-amine is Cc1oc(-c2cccs2)nc1CN1CCC(c2ccnc(N)n2)CC1.

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

The InChIKey is YBYWXMUBQNRLRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5OS/c1-12-15(21-17(24-12)16-3-2-10-25-16)11-23-8-5-13(6-9-23)14-4-7-20-18(19)22-14/h2-4,7,10,13H,5-6,8-9,11H2,1H3,(H2,19,20,22).

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

4-[1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]pyrimidin-2-amine has a molecular weight of 355.47 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]pyrimidin-2-amine is sourced from PubChem (CID 77097380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).