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

C19H20ClN3O3S — CID 10158209

IUPAC5-chloro-N-[[(5S)-2-oxo-3-(4-pyrrolidin-1-ylphenyl)-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
SMILESO=C(NC[C@H]1CN(c2ccc(N3CCCC3)cc2)C(=O)O1)c1ccc(Cl)s1
InChIInChI=1S/C19H20ClN3O3S/c20-17-8-7-16(27-17)18(24)21-11-15-12-23(19(25)26-15)14-5-3-13(4-6-14)22-9-1-2-10-22/h3-8,15H,1-2,9-12H2,(H,21,24)/t15-/m0/s1
InChIKeyIQOWGQZZKKHHOD-HNNXBMFYSA-N
MW405.91 g/mol
LogP3.76
Rot. Bonds5

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

5-chloro-N-[[(5S)-2-oxo-3-(4-pyrrolidin-1-ylphenyl)-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide (PubChem CID 10158209) has the molecular formula C19H20ClN3O3S and a molecular weight of 405.91 g/mol. Its IUPAC name is 5-chloro-N-[[(5S)-2-oxo-3-(4-pyrrolidin-1-ylphenyl)-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[[(5S)-2-oxo-3-(4-pyrrolidin-1-ylphenyl)-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
PubChem CID10158209
Molecular FormulaC19H20ClN3O3S
Molecular Weight405.91 g/mol
Exact Mass405.09
IUPAC Name5-chloro-N-[[(5S)-2-oxo-3-(4-pyrrolidin-1-ylphenyl)-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
SMILESO=C(NC[C@H]1CN(c2ccc(N3CCCC3)cc2)C(=O)O1)c1ccc(Cl)s1
InChIInChI=1S/C19H20ClN3O3S/c20-17-8-7-16(27-17)18(24)21-11-15-12-23(19(25)26-15)14-5-3-13(4-6-14)22-9-1-2-10-22/h3-8,15H,1-2,9-12H2,(H,21,24)/t15-/m0/s1
InChIKeyIQOWGQZZKKHHOD-HNNXBMFYSA-N
XLogP3.76
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.91
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[[(5S)-2-oxo-3-(4-pyrrolidin-1-ylphenyl)-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-[[(5S)-2-oxo-3-(4-pyrrolidin-1-ylphenyl)-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide (CID 10158209) is 5-chloro-N-[[(5S)-2-oxo-3-(4-pyrrolidin-1-ylphenyl)-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[[(5S)-2-oxo-3-(4-pyrrolidin-1-ylphenyl)-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-[[(5S)-2-oxo-3-(4-pyrrolidin-1-ylphenyl)-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide is O=C(NC[C@H]1CN(c2ccc(N3CCCC3)cc2)C(=O)O1)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-[[(5S)-2-oxo-3-(4-pyrrolidin-1-ylphenyl)-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide?
The InChIKey is IQOWGQZZKKHHOD-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H20ClN3O3S/c20-17-8-7-16(27-17)18(24)21-11-15-12-23(19(25)26-15)14-5-3-13(4-6-14)22-9-1-2-10-22/h3-8,15H,1-2,9-12H2,(H,21,24)/t15-/m0/s1.
What are the key properties of 5-chloro-N-[[(5S)-2-oxo-3-(4-pyrrolidin-1-ylphenyl)-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide?
5-chloro-N-[[(5S)-2-oxo-3-(4-pyrrolidin-1-ylphenyl)-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide has a molecular weight of 405.91 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[[(5S)-2-oxo-3-(4-pyrrolidin-1-ylphenyl)-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 10158209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).