(5S)-N-[(4-butyl-1,3-thiazol-2-yl)-(4-chlorophenyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxamide

C18H20ClN3O3S — CID 170217816

IUPAC(5S)-N-[(4-butyl-1,3-thiazol-2-yl)-(4-chlorophenyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxamide
SMILESCCCCc1csc(C(NC(=O)[C@@H]2CNC(=O)O2)c2ccc(Cl)cc2)n1
InChIInChI=1S/C18H20ClN3O3S/c1-2-3-4-13-10-26-17(21-13)15(11-5-7-12(19)8-6-11)22-16(23)14-9-20-18(24)25-14/h5-8,10,14-15H,2-4,9H2,1H3,(H,20,24)(H,22,23)/t14-,15?/m0/s1
InChIKeyHQHSQQLAALPOST-MLCCFXAWSA-N
MW393.90 g/mol
LogP3.45
Rot. Bonds7

About (5S)-N-[(4-butyl-1,3-thiazol-2-yl)-(4-chlorophenyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxamide

(5S)-N-[(4-butyl-1,3-thiazol-2-yl)-(4-chlorophenyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxamide (PubChem CID 170217816) has the molecular formula C18H20ClN3O3S and a molecular weight of 393.90 g/mol. Its IUPAC name is (5S)-N-[(4-butyl-1,3-thiazol-2-yl)-(4-chlorophenyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxamide.

Molecular Properties

Compound Name(5S)-N-[(4-butyl-1,3-thiazol-2-yl)-(4-chlorophenyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxamide
PubChem CID170217816
Molecular FormulaC18H20ClN3O3S
Molecular Weight393.90 g/mol
Exact Mass393.09
IUPAC Name(5S)-N-[(4-butyl-1,3-thiazol-2-yl)-(4-chlorophenyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxamide
SMILESCCCCc1csc(C(NC(=O)[C@@H]2CNC(=O)O2)c2ccc(Cl)cc2)n1
InChIInChI=1S/C18H20ClN3O3S/c1-2-3-4-13-10-26-17(21-13)15(11-5-7-12(19)8-6-11)22-16(23)14-9-20-18(24)25-14/h5-8,10,14-15H,2-4,9H2,1H3,(H,20,24)(H,22,23)/t14-,15?/m0/s1
InChIKeyHQHSQQLAALPOST-MLCCFXAWSA-N
XLogP3.45
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.90
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5S)-N-[(4-butyl-1,3-thiazol-2-yl)-(4-chlorophenyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxamide?
The IUPAC name of (5S)-N-[(4-butyl-1,3-thiazol-2-yl)-(4-chlorophenyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxamide (CID 170217816) is (5S)-N-[(4-butyl-1,3-thiazol-2-yl)-(4-chlorophenyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxamide.
What is the SMILES notation for (5S)-N-[(4-butyl-1,3-thiazol-2-yl)-(4-chlorophenyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxamide?
The canonical SMILES for (5S)-N-[(4-butyl-1,3-thiazol-2-yl)-(4-chlorophenyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxamide is CCCCc1csc(C(NC(=O)[C@@H]2CNC(=O)O2)c2ccc(Cl)cc2)n1.
What is the InChIKey of (5S)-N-[(4-butyl-1,3-thiazol-2-yl)-(4-chlorophenyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxamide?
The InChIKey is HQHSQQLAALPOST-MLCCFXAWSA-N. The full InChI is InChI=1S/C18H20ClN3O3S/c1-2-3-4-13-10-26-17(21-13)15(11-5-7-12(19)8-6-11)22-16(23)14-9-20-18(24)25-14/h5-8,10,14-15H,2-4,9H2,1H3,(H,20,24)(H,22,23)/t14-,15?/m0/s1.
What are the key properties of (5S)-N-[(4-butyl-1,3-thiazol-2-yl)-(4-chlorophenyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxamide?
(5S)-N-[(4-butyl-1,3-thiazol-2-yl)-(4-chlorophenyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxamide has a molecular weight of 393.90 g/mol, XLogP of 3.45, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-N-[(4-butyl-1,3-thiazol-2-yl)-(4-chlorophenyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxamide is sourced from PubChem (CID 170217816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).