[(4S)-2-oxo-1,3-oxazolidin-4-yl]methyl 3-[6-(2-chlorophenoxy)-3-pyridinyl]azetidine-1-carboxylate

C19H18ClN3O5 — CID 162745775

IUPAC[(4S)-2-oxo-1,3-oxazolidin-4-yl]methyl 3-[6-(2-chlorophenoxy)-3-pyridinyl]azetidine-1-carboxylate
SMILESO=C1N[C@H](COC(=O)N2CC(c3ccc(Oc4ccccc4Cl)nc3)C2)CO1
InChIInChI=1S/C19H18ClN3O5/c20-15-3-1-2-4-16(15)28-17-6-5-12(7-21-17)13-8-23(9-13)19(25)27-11-14-10-26-18(24)22-14/h1-7,13-14H,8-11H2,(H,22,24)/t14-/m0/s1
InChIKeyVPWSIYGGLPYNGZ-AWEZNQCLSA-N
MW403.82 g/mol
LogP3.17
Rot. Bonds5

About [(4S)-2-oxo-1,3-oxazolidin-4-yl]methyl 3-[6-(2-chlorophenoxy)-3-pyridinyl]azetidine-1-carboxylate

[(4S)-2-oxo-1,3-oxazolidin-4-yl]methyl 3-[6-(2-chlorophenoxy)-3-pyridinyl]azetidine-1-carboxylate (PubChem CID 162745775) has the molecular formula C19H18ClN3O5 and a molecular weight of 403.82 g/mol. Its IUPAC name is [(4S)-2-oxo-1,3-oxazolidin-4-yl]methyl 3-[6-(2-chlorophenoxy)-3-pyridinyl]azetidine-1-carboxylate.

Molecular Properties

Compound Name[(4S)-2-oxo-1,3-oxazolidin-4-yl]methyl 3-[6-(2-chlorophenoxy)-3-pyridinyl]azetidine-1-carboxylate
PubChem CID162745775
Molecular FormulaC19H18ClN3O5
Molecular Weight403.82 g/mol
Exact Mass403.09
IUPAC Name[(4S)-2-oxo-1,3-oxazolidin-4-yl]methyl 3-[6-(2-chlorophenoxy)-3-pyridinyl]azetidine-1-carboxylate
SMILESO=C1N[C@H](COC(=O)N2CC(c3ccc(Oc4ccccc4Cl)nc3)C2)CO1
InChIInChI=1S/C19H18ClN3O5/c20-15-3-1-2-4-16(15)28-17-6-5-12(7-21-17)13-8-23(9-13)19(25)27-11-14-10-26-18(24)22-14/h1-7,13-14H,8-11H2,(H,22,24)/t14-/m0/s1
InChIKeyVPWSIYGGLPYNGZ-AWEZNQCLSA-N
XLogP3.17
TPSA89.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.82
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [(4S)-2-oxo-1,3-oxazolidin-4-yl]methyl 3-[6-(2-chlorophenoxy)-3-pyridinyl]azetidine-1-carboxylate?
The IUPAC name of [(4S)-2-oxo-1,3-oxazolidin-4-yl]methyl 3-[6-(2-chlorophenoxy)-3-pyridinyl]azetidine-1-carboxylate (CID 162745775) is [(4S)-2-oxo-1,3-oxazolidin-4-yl]methyl 3-[6-(2-chlorophenoxy)-3-pyridinyl]azetidine-1-carboxylate.
What is the SMILES notation for [(4S)-2-oxo-1,3-oxazolidin-4-yl]methyl 3-[6-(2-chlorophenoxy)-3-pyridinyl]azetidine-1-carboxylate?
The canonical SMILES for [(4S)-2-oxo-1,3-oxazolidin-4-yl]methyl 3-[6-(2-chlorophenoxy)-3-pyridinyl]azetidine-1-carboxylate is O=C1N[C@H](COC(=O)N2CC(c3ccc(Oc4ccccc4Cl)nc3)C2)CO1.
What is the InChIKey of [(4S)-2-oxo-1,3-oxazolidin-4-yl]methyl 3-[6-(2-chlorophenoxy)-3-pyridinyl]azetidine-1-carboxylate?
The InChIKey is VPWSIYGGLPYNGZ-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H18ClN3O5/c20-15-3-1-2-4-16(15)28-17-6-5-12(7-21-17)13-8-23(9-13)19(25)27-11-14-10-26-18(24)22-14/h1-7,13-14H,8-11H2,(H,22,24)/t14-/m0/s1.
What are the key properties of [(4S)-2-oxo-1,3-oxazolidin-4-yl]methyl 3-[6-(2-chlorophenoxy)-3-pyridinyl]azetidine-1-carboxylate?
[(4S)-2-oxo-1,3-oxazolidin-4-yl]methyl 3-[6-(2-chlorophenoxy)-3-pyridinyl]azetidine-1-carboxylate has a molecular weight of 403.82 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S)-2-oxo-1,3-oxazolidin-4-yl]methyl 3-[6-(2-chlorophenoxy)-3-pyridinyl]azetidine-1-carboxylate is sourced from PubChem (CID 162745775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).