N-[(1S)-1-(4-methoxyphenyl)ethyl]-3-[3-(6-methyl-2-oxo-1-propyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]propanamide

C23H28N4O4 — CID 94081163

About N-[(1S)-1-(4-methoxyphenyl)ethyl]-3-[3-(6-methyl-2-oxo-1-propyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]propanamide

N-[(1S)-1-(4-methoxyphenyl)ethyl]-3-[3-(6-methyl-2-oxo-1-propyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]propanamide (PubChem CID 94081163) has the molecular formula C23H28N4O4 and a molecular weight of 424.50 g/mol. Its IUPAC name is N-[(1S)-1-(4-methoxyphenyl)ethyl]-3-[3-(6-methyl-2-oxo-1-propyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]propanamide.

Molecular Properties

• Compound Name: N-[(1S)-1-(4-methoxyphenyl)ethyl]-3-[3-(6-methyl-2-oxo-1-propyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]propanamide
• PubChem CID: 94081163
• Molecular Formula: C23H28N4O4
• Molecular Weight: 424.50 g/mol
• Exact Mass: 424.21
• IUPAC Name: N-[(1S)-1-(4-methoxyphenyl)ethyl]-3-[3-(6-methyl-2-oxo-1-propyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]propanamide
• SMILES: CCCn1c(C)ccc(-c2noc(CCC(=O)N[C@@H](C)c3ccc(OC)cc3)n2)c1=O
• InChI: InChI=1S/C23H28N4O4/c1-5-14-27-15(2)6-11-19(23(27)29)22-25-21(31-26-22)13-12-20(28)24-16(3)17-7-9-18(30-4)10-8-17/h6-11,16H,5,12-14H2,1-4H3,(H,24,28)/t16-/m0/s1
• InChIKey: ZFJCYQVFBVWGLZ-INIZCTEOSA-N
• XLogP: 3.44
• TPSA: 99.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	424.50
LogP ≤ 5	3.44
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-methoxyphenyl)ethyl]-3-[3-(6-methyl-2-oxo-1-propyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]propanamide?

The IUPAC name of N-[(1S)-1-(4-methoxyphenyl)ethyl]-3-[3-(6-methyl-2-oxo-1-propyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]propanamide (CID 94081163) is N-[(1S)-1-(4-methoxyphenyl)ethyl]-3-[3-(6-methyl-2-oxo-1-propyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]propanamide.

What is the SMILES notation for N-[(1S)-1-(4-methoxyphenyl)ethyl]-3-[3-(6-methyl-2-oxo-1-propyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]propanamide?

The canonical SMILES for N-[(1S)-1-(4-methoxyphenyl)ethyl]-3-[3-(6-methyl-2-oxo-1-propyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]propanamide is CCCn1c(C)ccc(-c2noc(CCC(=O)N[C@@H](C)c3ccc(OC)cc3)n2)c1=O.

What is the InChIKey of N-[(1S)-1-(4-methoxyphenyl)ethyl]-3-[3-(6-methyl-2-oxo-1-propyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]propanamide?

The InChIKey is ZFJCYQVFBVWGLZ-INIZCTEOSA-N. The full InChI is InChI=1S/C23H28N4O4/c1-5-14-27-15(2)6-11-19(23(27)29)22-25-21(31-26-22)13-12-20(28)24-16(3)17-7-9-18(30-4)10-8-17/h6-11,16H,5,12-14H2,1-4H3,(H,24,28)/t16-/m0/s1.

What are the key properties of N-[(1S)-1-(4-methoxyphenyl)ethyl]-3-[3-(6-methyl-2-oxo-1-propyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]propanamide?

N-[(1S)-1-(4-methoxyphenyl)ethyl]-3-[3-(6-methyl-2-oxo-1-propyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]propanamide has a molecular weight of 424.50 g/mol, XLogP of 3.44, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1S)-1-(4-methoxyphenyl)ethyl]-3-[3-(6-methyl-2-oxo-1-propyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]propanamide is sourced from PubChem (CID 94081163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).