N-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide

C19H19N5O2S — CID 78869334

About N-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide

N-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide (PubChem CID 78869334) has the molecular formula C19H19N5O2S and a molecular weight of 381.46 g/mol. Its IUPAC name is N-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide.

Molecular Properties

• Compound Name: N-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide
• PubChem CID: 78869334
• Molecular Formula: C19H19N5O2S
• Molecular Weight: 381.46 g/mol
• Exact Mass: 381.13
• IUPAC Name: N-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide
• SMILES: CC(C)c1noc(CCC(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)n1
• InChI: InChI=1S/C19H19N5O2S/c1-12(2)18-23-17(26-24-18)8-7-16(25)22-19-21-11-15(27-19)9-13-3-5-14(10-20)6-4-13/h3-6,11-12H,7-9H2,1-2H3,(H,21,22,25)
• InChIKey: LLXCEBNIOHJKKG-UHFFFAOYSA-N
• XLogP: 3.68
• TPSA: 104.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	381.46
LogP ≤ 5	3.68
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide?

The IUPAC name of N-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide (CID 78869334) is N-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide.

What is the SMILES notation for N-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide?

The canonical SMILES for N-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide is CC(C)c1noc(CCC(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)n1.

What is the InChIKey of N-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide?

The InChIKey is LLXCEBNIOHJKKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2S/c1-12(2)18-23-17(26-24-18)8-7-16(25)22-19-21-11-15(27-19)9-13-3-5-14(10-20)6-4-13/h3-6,11-12H,7-9H2,1-2H3,(H,21,22,25).

What are the key properties of N-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide?

N-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide has a molecular weight of 381.46 g/mol, XLogP of 3.68, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide is sourced from PubChem (CID 78869334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).