N-[(1S)-2-methyl-1-[3-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]propyl]furan-2-carboxamide

C21H24N4O5S — CID 92501919

About N-[(1S)-2-methyl-1-[3-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]propyl]furan-2-carboxamide

N-[(1S)-2-methyl-1-[3-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]propyl]furan-2-carboxamide (PubChem CID 92501919) has the molecular formula C21H24N4O5S and a molecular weight of 444.51 g/mol. Its IUPAC name is N-[(1S)-2-methyl-1-[3-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]propyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[(1S)-2-methyl-1-[3-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]propyl]furan-2-carboxamide
• PubChem CID: 92501919
• Molecular Formula: C21H24N4O5S
• Molecular Weight: 444.51 g/mol
• Exact Mass: 444.15
• IUPAC Name: N-[(1S)-2-methyl-1-[3-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]propyl]furan-2-carboxamide
• SMILES: CC(C)[C@H](NC(=O)c1ccco1)c1nc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)no1
• InChI: InChI=1S/C21H24N4O5S/c1-14(2)18(22-20(26)17-6-5-13-29-17)21-23-19(24-30-21)15-7-9-16(10-8-15)31(27,28)25-11-3-4-12-25/h5-10,13-14,18H,3-4,11-12H2,1-2H3,(H,22,26)/t18-/m0/s1
• InChIKey: UWNVAZWVZYBUMM-SFHVURJKSA-N
• XLogP: 3.24
• TPSA: 118.54 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	444.51
LogP ≤ 5	3.24
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-methyl-1-[3-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]propyl]furan-2-carboxamide?

The IUPAC name of N-[(1S)-2-methyl-1-[3-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]propyl]furan-2-carboxamide (CID 92501919) is N-[(1S)-2-methyl-1-[3-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]propyl]furan-2-carboxamide.

What is the SMILES notation for N-[(1S)-2-methyl-1-[3-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]propyl]furan-2-carboxamide?

The canonical SMILES for N-[(1S)-2-methyl-1-[3-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]propyl]furan-2-carboxamide is CC(C)[C@H](NC(=O)c1ccco1)c1nc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)no1.

What is the InChIKey of N-[(1S)-2-methyl-1-[3-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]propyl]furan-2-carboxamide?

The InChIKey is UWNVAZWVZYBUMM-SFHVURJKSA-N. The full InChI is InChI=1S/C21H24N4O5S/c1-14(2)18(22-20(26)17-6-5-13-29-17)21-23-19(24-30-21)15-7-9-16(10-8-15)31(27,28)25-11-3-4-12-25/h5-10,13-14,18H,3-4,11-12H2,1-2H3,(H,22,26)/t18-/m0/s1.

What are the key properties of N-[(1S)-2-methyl-1-[3-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]propyl]furan-2-carboxamide?

N-[(1S)-2-methyl-1-[3-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]propyl]furan-2-carboxamide has a molecular weight of 444.51 g/mol, XLogP of 3.24, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1S)-2-methyl-1-[3-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]propyl]furan-2-carboxamide is sourced from PubChem (CID 92501919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).