5-chloro-N-[[(5S)-3-[4-[4-(4-hydroxybutanoyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide

C22H24ClN5O5S — CID 69257351

About 5-chloro-N-[[(5S)-3-[4-[4-(4-hydroxybutanoyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide

5-chloro-N-[[(5S)-3-[4-[4-(4-hydroxybutanoyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide (PubChem CID 69257351) has the molecular formula C22H24ClN5O5S and a molecular weight of 505.98 g/mol. Its IUPAC name is 5-chloro-N-[[(5S)-3-[4-[4-(4-hydroxybutanoyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: 5-chloro-N-[[(5S)-3-[4-[4-(4-hydroxybutanoyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
• PubChem CID: 69257351
• Molecular Formula: C22H24ClN5O5S
• Molecular Weight: 505.98 g/mol
• Exact Mass: 505.12
• IUPAC Name: 5-chloro-N-[[(5S)-3-[4-[4-(4-hydroxybutanoyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
• SMILES: O=C(NC[C@H]1CN(c2ccc(N3CCN(C(=O)CCCO)C=N3)cc2)C(=O)O1)c1ccc(Cl)s1
• InChI: InChI=1S/C22H24ClN5O5S/c23-19-8-7-18(34-19)21(31)24-12-17-13-27(22(32)33-17)15-3-5-16(6-4-15)28-10-9-26(14-25-28)20(30)2-1-11-29/h3-8,14,17,29H,1-2,9-13H2,(H,24,31)/t17-/m0/s1
• InChIKey: YSAAPZIBTIVPTF-KRWDZBQOSA-N
• XLogP: 2.52
• TPSA: 114.78 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	505.98
LogP ≤ 5	2.52
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[[(5S)-3-[4-[4-(4-hydroxybutanoyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide?

The IUPAC name of 5-chloro-N-[[(5S)-3-[4-[4-(4-hydroxybutanoyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide (CID 69257351) is 5-chloro-N-[[(5S)-3-[4-[4-(4-hydroxybutanoyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide.

What is the SMILES notation for 5-chloro-N-[[(5S)-3-[4-[4-(4-hydroxybutanoyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide?

The canonical SMILES for 5-chloro-N-[[(5S)-3-[4-[4-(4-hydroxybutanoyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide is O=C(NC[C@H]1CN(c2ccc(N3CCN(C(=O)CCCO)C=N3)cc2)C(=O)O1)c1ccc(Cl)s1.

What is the InChIKey of 5-chloro-N-[[(5S)-3-[4-[4-(4-hydroxybutanoyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide?

The InChIKey is YSAAPZIBTIVPTF-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H24ClN5O5S/c23-19-8-7-18(34-19)21(31)24-12-17-13-27(22(32)33-17)15-3-5-16(6-4-15)28-10-9-26(14-25-28)20(30)2-1-11-29/h3-8,14,17,29H,1-2,9-13H2,(H,24,31)/t17-/m0/s1.

What are the key properties of 5-chloro-N-[[(5S)-3-[4-[4-(4-hydroxybutanoyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide?

5-chloro-N-[[(5S)-3-[4-[4-(4-hydroxybutanoyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide has a molecular weight of 505.98 g/mol, XLogP of 2.52, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-N-[[(5S)-3-[4-[4-(4-hydroxybutanoyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 69257351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).