3-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)cyclohexyl]propanamide

C21H23N5O3S — CID 73295340

About 3-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)cyclohexyl]propanamide

3-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)cyclohexyl]propanamide (PubChem CID 73295340) has the molecular formula C21H23N5O3S and a molecular weight of 425.51 g/mol. Its IUPAC name is 3-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)cyclohexyl]propanamide.

Molecular Properties

• Compound Name: 3-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)cyclohexyl]propanamide
• PubChem CID: 73295340
• Molecular Formula: C21H23N5O3S
• Molecular Weight: 425.51 g/mol
• Exact Mass: 425.15
• IUPAC Name: 3-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)cyclohexyl]propanamide
• SMILES: O=C(CCSc1nccc(=O)[nH]1)NC1CCC(c2nnc(-c3ccccc3)o2)CC1
• InChI: InChI=1S/C21H23N5O3S/c27-17-10-12-22-21(24-17)30-13-11-18(28)23-16-8-6-15(7-9-16)20-26-25-19(29-20)14-4-2-1-3-5-14/h1-5,10,12,15-16H,6-9,11,13H2,(H,23,28)(H,22,24,27)
• InChIKey: ZEMGNPBLWCWPSA-UHFFFAOYSA-N
• XLogP: 3.14
• TPSA: 113.77 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	425.51
LogP ≤ 5	3.14
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)cyclohexyl]propanamide?

The IUPAC name of 3-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)cyclohexyl]propanamide (CID 73295340) is 3-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)cyclohexyl]propanamide.

What is the SMILES notation for 3-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)cyclohexyl]propanamide?

The canonical SMILES for 3-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)cyclohexyl]propanamide is O=C(CCSc1nccc(=O)[nH]1)NC1CCC(c2nnc(-c3ccccc3)o2)CC1.

What is the InChIKey of 3-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)cyclohexyl]propanamide?

The InChIKey is ZEMGNPBLWCWPSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O3S/c27-17-10-12-22-21(24-17)30-13-11-18(28)23-16-8-6-15(7-9-16)20-26-25-19(29-20)14-4-2-1-3-5-14/h1-5,10,12,15-16H,6-9,11,13H2,(H,23,28)(H,22,24,27).

What are the key properties of 3-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)cyclohexyl]propanamide?

3-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)cyclohexyl]propanamide has a molecular weight of 425.51 g/mol, XLogP of 3.14, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)cyclohexyl]propanamide is sourced from PubChem (CID 73295340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).