(4S)-3-(3H-benzimidazol-5-yl)-4-(3-morpholin-4-ylphenyl)-1,3-oxazolidin-2-one

C20H20N4O3 — CID 58229168

IUPAC(4S)-3-(3H-benzimidazol-5-yl)-4-(3-morpholin-4-ylphenyl)-1,3-oxazolidin-2-one
SMILESO=C1OC[C@H](c2cccc(N3CCOCC3)c2)N1c1ccc2nc[nH]c2c1
InChIInChI=1S/C20H20N4O3/c25-20-24(16-4-5-17-18(11-16)22-13-21-17)19(12-27-20)14-2-1-3-15(10-14)23-6-8-26-9-7-23/h1-5,10-11,13,19H,6-9,12H2,(H,21,22)/t19-/m1/s1
InChIKeyAGIHWNYSJKBMSF-LJQANCHMSA-N
MW364.41 g/mol
LogP3.10
Rot. Bonds3

About (4S)-3-(3H-benzimidazol-5-yl)-4-(3-morpholin-4-ylphenyl)-1,3-oxazolidin-2-one

(4S)-3-(3H-benzimidazol-5-yl)-4-(3-morpholin-4-ylphenyl)-1,3-oxazolidin-2-one (PubChem CID 58229168) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is (4S)-3-(3H-benzimidazol-5-yl)-4-(3-morpholin-4-ylphenyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-(3H-benzimidazol-5-yl)-4-(3-morpholin-4-ylphenyl)-1,3-oxazolidin-2-one
PubChem CID58229168
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC Name(4S)-3-(3H-benzimidazol-5-yl)-4-(3-morpholin-4-ylphenyl)-1,3-oxazolidin-2-one
SMILESO=C1OC[C@H](c2cccc(N3CCOCC3)c2)N1c1ccc2nc[nH]c2c1
InChIInChI=1S/C20H20N4O3/c25-20-24(16-4-5-17-18(11-16)22-13-21-17)19(12-27-20)14-2-1-3-15(10-14)23-6-8-26-9-7-23/h1-5,10-11,13,19H,6-9,12H2,(H,21,22)/t19-/m1/s1
InChIKeyAGIHWNYSJKBMSF-LJQANCHMSA-N
XLogP3.10
TPSA70.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4S)-3-(3H-benzimidazol-5-yl)-4-(3-morpholin-4-ylphenyl)-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-(3H-benzimidazol-5-yl)-4-(3-morpholin-4-ylphenyl)-1,3-oxazolidin-2-one (CID 58229168) is (4S)-3-(3H-benzimidazol-5-yl)-4-(3-morpholin-4-ylphenyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-(3H-benzimidazol-5-yl)-4-(3-morpholin-4-ylphenyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-(3H-benzimidazol-5-yl)-4-(3-morpholin-4-ylphenyl)-1,3-oxazolidin-2-one is O=C1OC[C@H](c2cccc(N3CCOCC3)c2)N1c1ccc2nc[nH]c2c1.
What is the InChIKey of (4S)-3-(3H-benzimidazol-5-yl)-4-(3-morpholin-4-ylphenyl)-1,3-oxazolidin-2-one?
The InChIKey is AGIHWNYSJKBMSF-LJQANCHMSA-N. The full InChI is InChI=1S/C20H20N4O3/c25-20-24(16-4-5-17-18(11-16)22-13-21-17)19(12-27-20)14-2-1-3-15(10-14)23-6-8-26-9-7-23/h1-5,10-11,13,19H,6-9,12H2,(H,21,22)/t19-/m1/s1.
What are the key properties of (4S)-3-(3H-benzimidazol-5-yl)-4-(3-morpholin-4-ylphenyl)-1,3-oxazolidin-2-one?
(4S)-3-(3H-benzimidazol-5-yl)-4-(3-morpholin-4-ylphenyl)-1,3-oxazolidin-2-one has a molecular weight of 364.41 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-(3H-benzimidazol-5-yl)-4-(3-morpholin-4-ylphenyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 58229168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).