5-chloro-N-[[(5S)-2-oxo-3-[4-[2-(oxolan-3-yl)-4,5-dihydroimidazol-1-yl]phenyl]-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide

C22H23ClN4O4S — CID 25114718

IUPAC5-chloro-N-[[(5S)-2-oxo-3-[4-[2-(oxolan-3-yl)-4,5-dihydroimidazol-1-yl]phenyl]-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
SMILESO=C(NC[C@H]1CN(c2ccc(N3CCN=C3C3CCOC3)cc2)C(=O)O1)c1ccc(Cl)s1
InChIInChI=1S/C22H23ClN4O4S/c23-19-6-5-18(32-19)21(28)25-11-17-12-27(22(29)31-17)16-3-1-15(2-4-16)26-9-8-24-20(26)14-7-10-30-13-14/h1-6,14,17H,7-13H2,(H,25,28)/t14?,17-/m0/s1
InChIKeyNZVWPBYEKGWNHX-JRZJBTRGSA-N
MW474.97 g/mol
LogP3.41
Rot. Bonds6

About 5-chloro-N-[[(5S)-2-oxo-3-[4-[2-(oxolan-3-yl)-4,5-dihydroimidazol-1-yl]phenyl]-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide

5-chloro-N-[[(5S)-2-oxo-3-[4-[2-(oxolan-3-yl)-4,5-dihydroimidazol-1-yl]phenyl]-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide (PubChem CID 25114718) has the molecular formula C22H23ClN4O4S and a molecular weight of 474.97 g/mol. Its IUPAC name is 5-chloro-N-[[(5S)-2-oxo-3-[4-[2-(oxolan-3-yl)-4,5-dihydroimidazol-1-yl]phenyl]-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[[(5S)-2-oxo-3-[4-[2-(oxolan-3-yl)-4,5-dihydroimidazol-1-yl]phenyl]-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
PubChem CID25114718
Molecular FormulaC22H23ClN4O4S
Molecular Weight474.97 g/mol
Exact Mass474.11
IUPAC Name5-chloro-N-[[(5S)-2-oxo-3-[4-[2-(oxolan-3-yl)-4,5-dihydroimidazol-1-yl]phenyl]-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
SMILESO=C(NC[C@H]1CN(c2ccc(N3CCN=C3C3CCOC3)cc2)C(=O)O1)c1ccc(Cl)s1
InChIInChI=1S/C22H23ClN4O4S/c23-19-6-5-18(32-19)21(28)25-11-17-12-27(22(29)31-17)16-3-1-15(2-4-16)26-9-8-24-20(26)14-7-10-30-13-14/h1-6,14,17H,7-13H2,(H,25,28)/t14?,17-/m0/s1
InChIKeyNZVWPBYEKGWNHX-JRZJBTRGSA-N
XLogP3.41
TPSA83.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.97
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-chloro-N-[[(5S)-2-oxo-3-[4-[2-(oxolan-3-yl)-4,5-dihydroimidazol-1-yl]phenyl]-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[[(5S)-2-oxo-3-[4-[2-(oxolan-3-yl)-4,5-dihydroimidazol-1-yl]phenyl]-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-[[(5S)-2-oxo-3-[4-[2-(oxolan-3-yl)-4,5-dihydroimidazol-1-yl]phenyl]-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide (CID 25114718) is 5-chloro-N-[[(5S)-2-oxo-3-[4-[2-(oxolan-3-yl)-4,5-dihydroimidazol-1-yl]phenyl]-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[[(5S)-2-oxo-3-[4-[2-(oxolan-3-yl)-4,5-dihydroimidazol-1-yl]phenyl]-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-[[(5S)-2-oxo-3-[4-[2-(oxolan-3-yl)-4,5-dihydroimidazol-1-yl]phenyl]-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide is O=C(NC[C@H]1CN(c2ccc(N3CCN=C3C3CCOC3)cc2)C(=O)O1)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-[[(5S)-2-oxo-3-[4-[2-(oxolan-3-yl)-4,5-dihydroimidazol-1-yl]phenyl]-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide?
The InChIKey is NZVWPBYEKGWNHX-JRZJBTRGSA-N. The full InChI is InChI=1S/C22H23ClN4O4S/c23-19-6-5-18(32-19)21(28)25-11-17-12-27(22(29)31-17)16-3-1-15(2-4-16)26-9-8-24-20(26)14-7-10-30-13-14/h1-6,14,17H,7-13H2,(H,25,28)/t14?,17-/m0/s1.
What are the key properties of 5-chloro-N-[[(5S)-2-oxo-3-[4-[2-(oxolan-3-yl)-4,5-dihydroimidazol-1-yl]phenyl]-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide?
5-chloro-N-[[(5S)-2-oxo-3-[4-[2-(oxolan-3-yl)-4,5-dihydroimidazol-1-yl]phenyl]-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide has a molecular weight of 474.97 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[[(5S)-2-oxo-3-[4-[2-(oxolan-3-yl)-4,5-dihydroimidazol-1-yl]phenyl]-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 25114718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).