(4R)-3-[(1R)-2-nitro-1-phenylethyl]-4-phenyl-1,3-oxazolidin-2-one

C17H16N2O4 — CID 10805047

IUPAC(4R)-3-[(1R)-2-nitro-1-phenylethyl]-4-phenyl-1,3-oxazolidin-2-one
SMILESO=C1OC[C@@H](c2ccccc2)N1[C@@H](C[N+](=O)[O-])c1ccccc1
InChIInChI=1S/C17H16N2O4/c20-17-19(16(12-23-17)14-9-5-2-6-10-14)15(11-18(21)22)13-7-3-1-4-8-13/h1-10,15-16H,11-12H2/t15-,16-/m0/s1
InChIKeyTXXQPNWGTWILFL-HOTGVXAUSA-N
MW312.32 g/mol
LogP3.20
Rot. Bonds5

About (4R)-3-[(1R)-2-nitro-1-phenylethyl]-4-phenyl-1,3-oxazolidin-2-one

(4R)-3-[(1R)-2-nitro-1-phenylethyl]-4-phenyl-1,3-oxazolidin-2-one (PubChem CID 10805047) has the molecular formula C17H16N2O4 and a molecular weight of 312.32 g/mol. Its IUPAC name is (4R)-3-[(1R)-2-nitro-1-phenylethyl]-4-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-3-[(1R)-2-nitro-1-phenylethyl]-4-phenyl-1,3-oxazolidin-2-one
PubChem CID10805047
Molecular FormulaC17H16N2O4
Molecular Weight312.32 g/mol
Exact Mass312.11
IUPAC Name(4R)-3-[(1R)-2-nitro-1-phenylethyl]-4-phenyl-1,3-oxazolidin-2-one
SMILESO=C1OC[C@@H](c2ccccc2)N1[C@@H](C[N+](=O)[O-])c1ccccc1
InChIInChI=1S/C17H16N2O4/c20-17-19(16(12-23-17)14-9-5-2-6-10-14)15(11-18(21)22)13-7-3-1-4-8-13/h1-10,15-16H,11-12H2/t15-,16-/m0/s1
InChIKeyTXXQPNWGTWILFL-HOTGVXAUSA-N
XLogP3.20
TPSA72.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.32
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(4R)-3-[4-[benzyl(methyl)amino]butyl]-4-phenyl-1,3-oxazolidin-2-one
CID 134136675
3-[4-[Benzyl(methyl)amino]butyl]-4-phenyl-1,3-oxazolidin-2-one
CID 134150074
(4S)-3-[4-[benzyl(methyl)amino]butyl]-4-phenyl-1,3-oxazolidin-2-one
CID 134157470
N-Methyl-2-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-YL]-N-(2-phenylethyl)acetamide
CID 72841935
N-Isopropyl-N-methyl-2-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-YL]acetamide
CID 72901041
4-phenyl-3-[(E)-3-phenylprop-2-enoyl]-1,3-oxazolidin-2-one
CID 6255679
(4R)-3-benzyl-4-phenyl-1,3-oxazolidin-2-one
CID 11357228
Ormlfknkrrwlor-irxdydnusa-
CID 15349927
(R)-3-cinnamoyl-4-phenyloxazolidin-2-one
CID 679770
2-Oxazolidinone, 3-(1-oxo-3-phenyl-2-propen-1-yl)-4-phenyl-, (4R)-
CID 679771
(R)-4-Phenyl-3-(2-phenylethynyl)oxazolidin-2-one
CID 11219247
phenyl N-benzyloxazolidinone
CID 14091547

Frequently Asked Questions

What is the IUPAC name of (4R)-3-[(1R)-2-nitro-1-phenylethyl]-4-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-3-[(1R)-2-nitro-1-phenylethyl]-4-phenyl-1,3-oxazolidin-2-one (CID 10805047) is (4R)-3-[(1R)-2-nitro-1-phenylethyl]-4-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-3-[(1R)-2-nitro-1-phenylethyl]-4-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-3-[(1R)-2-nitro-1-phenylethyl]-4-phenyl-1,3-oxazolidin-2-one is O=C1OC[C@@H](c2ccccc2)N1[C@@H](C[N+](=O)[O-])c1ccccc1.
What is the InChIKey of (4R)-3-[(1R)-2-nitro-1-phenylethyl]-4-phenyl-1,3-oxazolidin-2-one?
The InChIKey is TXXQPNWGTWILFL-HOTGVXAUSA-N. The full InChI is InChI=1S/C17H16N2O4/c20-17-19(16(12-23-17)14-9-5-2-6-10-14)15(11-18(21)22)13-7-3-1-4-8-13/h1-10,15-16H,11-12H2/t15-,16-/m0/s1.
What are the key properties of (4R)-3-[(1R)-2-nitro-1-phenylethyl]-4-phenyl-1,3-oxazolidin-2-one?
(4R)-3-[(1R)-2-nitro-1-phenylethyl]-4-phenyl-1,3-oxazolidin-2-one has a molecular weight of 312.32 g/mol, XLogP of 3.20, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-[(1R)-2-nitro-1-phenylethyl]-4-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 10805047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).