(4R)-3-[(2R)-1-nitropentan-2-yl]-4-phenyl-1,3-oxazolidin-2-one

C14H18N2O4 — CID 10731281

IUPAC(4R)-3-[(2R)-1-nitropentan-2-yl]-4-phenyl-1,3-oxazolidin-2-one
SMILESCCC[C@H](C[N+](=O)[O-])N1C(=O)OC[C@H]1c1ccccc1
InChIInChI=1S/C14H18N2O4/c1-2-6-12(9-15(18)19)16-13(10-20-14(16)17)11-7-4-3-5-8-11/h3-5,7-8,12-13H,2,6,9-10H2,1H3/t12-,13+/m1/s1
InChIKeyVQJJOXRHTPPBDZ-OLZOCXBDSA-N
MW278.31 g/mol
LogP2.63
Rot. Bonds6

About (4R)-3-[(2R)-1-nitropentan-2-yl]-4-phenyl-1,3-oxazolidin-2-one

(4R)-3-[(2R)-1-nitropentan-2-yl]-4-phenyl-1,3-oxazolidin-2-one (PubChem CID 10731281) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is (4R)-3-[(2R)-1-nitropentan-2-yl]-4-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-3-[(2R)-1-nitropentan-2-yl]-4-phenyl-1,3-oxazolidin-2-one
PubChem CID10731281
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name(4R)-3-[(2R)-1-nitropentan-2-yl]-4-phenyl-1,3-oxazolidin-2-one
SMILESCCC[C@H](C[N+](=O)[O-])N1C(=O)OC[C@H]1c1ccccc1
InChIInChI=1S/C14H18N2O4/c1-2-6-12(9-15(18)19)16-13(10-20-14(16)17)11-7-4-3-5-8-11/h3-5,7-8,12-13H,2,6,9-10H2,1H3/t12-,13+/m1/s1
InChIKeyVQJJOXRHTPPBDZ-OLZOCXBDSA-N
XLogP2.63
TPSA72.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 52.63
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
(4S)-3-ethenyl-4-phenyl-1,3-oxazolidin-2-one
CID 6711953
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-vinyl-oxazolidin-2-one
CID 373021
(4R)-3-[(1Z)-buta-1,3-dienyl]-4-phenyl-1,3-oxazolidin-2-one
CID 10965904
(4R)-3-(chloromethyl)-4-phenyl-1,3-oxazolidin-2-one
CID 11020194
(4R)-4-Phenyl-3-propadienyl-1,3-oxazolidin-2-one
CID 11183269
(4R)-3-[(1E)-buta-1,3-dienyl]-4-phenyl-1,3-oxazolidin-2-one
CID 12156048
(4R)-3-[(E)-3-methylpent-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 101113986

Frequently Asked Questions

What is the IUPAC name of (4R)-3-[(2R)-1-nitropentan-2-yl]-4-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-3-[(2R)-1-nitropentan-2-yl]-4-phenyl-1,3-oxazolidin-2-one (CID 10731281) is (4R)-3-[(2R)-1-nitropentan-2-yl]-4-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-3-[(2R)-1-nitropentan-2-yl]-4-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-3-[(2R)-1-nitropentan-2-yl]-4-phenyl-1,3-oxazolidin-2-one is CCC[C@H](C[N+](=O)[O-])N1C(=O)OC[C@H]1c1ccccc1.
What is the InChIKey of (4R)-3-[(2R)-1-nitropentan-2-yl]-4-phenyl-1,3-oxazolidin-2-one?
The InChIKey is VQJJOXRHTPPBDZ-OLZOCXBDSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-2-6-12(9-15(18)19)16-13(10-20-14(16)17)11-7-4-3-5-8-11/h3-5,7-8,12-13H,2,6,9-10H2,1H3/t12-,13+/m1/s1.
What are the key properties of (4R)-3-[(2R)-1-nitropentan-2-yl]-4-phenyl-1,3-oxazolidin-2-one?
(4R)-3-[(2R)-1-nitropentan-2-yl]-4-phenyl-1,3-oxazolidin-2-one has a molecular weight of 278.31 g/mol, XLogP of 2.63, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-[(2R)-1-nitropentan-2-yl]-4-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 10731281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).