(4S)-4-benzyl-3-(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)-1,3-oxazolidin-2-one

C21H18N2O4 — CID 14911082

IUPAC(4S)-4-benzyl-3-(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)-1,3-oxazolidin-2-one
SMILESCc1onc(-c2ccccc2)c1C(=O)N1C(=O)OC[C@@H]1Cc1ccccc1
InChIInChI=1S/C21H18N2O4/c1-14-18(19(22-27-14)16-10-6-3-7-11-16)20(24)23-17(13-26-21(23)25)12-15-8-4-2-5-9-15/h2-11,17H,12-13H2,1H3/t17-/m0/s1
InChIKeyUGIOWFPZTWOERR-KRWDZBQOSA-N
MW362.39 g/mol
LogP3.85
Rot. Bonds4

About (4S)-4-benzyl-3-(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)-1,3-oxazolidin-2-one

(4S)-4-benzyl-3-(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)-1,3-oxazolidin-2-one (PubChem CID 14911082) has the molecular formula C21H18N2O4 and a molecular weight of 362.39 g/mol. Its IUPAC name is (4S)-4-benzyl-3-(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-benzyl-3-(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)-1,3-oxazolidin-2-one
PubChem CID14911082
Molecular FormulaC21H18N2O4
Molecular Weight362.39 g/mol
Exact Mass362.13
IUPAC Name(4S)-4-benzyl-3-(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)-1,3-oxazolidin-2-one
SMILESCc1onc(-c2ccccc2)c1C(=O)N1C(=O)OC[C@@H]1Cc1ccccc1
InChIInChI=1S/C21H18N2O4/c1-14-18(19(22-27-14)16-10-6-3-7-11-16)20(24)23-17(13-26-21(23)25)12-15-8-4-2-5-9-15/h2-11,17H,12-13H2,1H3/t17-/m0/s1
InChIKeyUGIOWFPZTWOERR-KRWDZBQOSA-N
XLogP3.85
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-benzyl-3-(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4-benzyl-3-(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)-1,3-oxazolidin-2-one (CID 14911082) is (4S)-4-benzyl-3-(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-benzyl-3-(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-benzyl-3-(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)-1,3-oxazolidin-2-one is Cc1onc(-c2ccccc2)c1C(=O)N1C(=O)OC[C@@H]1Cc1ccccc1.
What is the InChIKey of (4S)-4-benzyl-3-(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)-1,3-oxazolidin-2-one?
The InChIKey is UGIOWFPZTWOERR-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H18N2O4/c1-14-18(19(22-27-14)16-10-6-3-7-11-16)20(24)23-17(13-26-21(23)25)12-15-8-4-2-5-9-15/h2-11,17H,12-13H2,1H3/t17-/m0/s1.
What are the key properties of (4S)-4-benzyl-3-(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)-1,3-oxazolidin-2-one?
(4S)-4-benzyl-3-(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)-1,3-oxazolidin-2-one has a molecular weight of 362.39 g/mol, XLogP of 3.85, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-benzyl-3-(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 14911082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).