5-chloro-2-methyl-4-nitro-3-phenyl-1,2-oxazolidine

C10H11ClN2O3 — CID 13127067

IUPAC5-chloro-2-methyl-4-nitro-3-phenyl-1,2-oxazolidine
SMILESCN1OC(Cl)C([N+](=O)[O-])C1c1ccccc1
InChIInChI=1S/C10H11ClN2O3/c1-12-8(7-5-3-2-4-6-7)9(13(14)15)10(11)16-12/h2-6,8-10H,1H3
InChIKeyKXQNLKHDAWAKOQ-UHFFFAOYSA-N
MW242.66 g/mol
LogP1.81
Rot. Bonds2

About 5-chloro-2-methyl-4-nitro-3-phenyl-1,2-oxazolidine

5-chloro-2-methyl-4-nitro-3-phenyl-1,2-oxazolidine (PubChem CID 13127067) has the molecular formula C10H11ClN2O3 and a molecular weight of 242.66 g/mol. Its IUPAC name is 5-chloro-2-methyl-4-nitro-3-phenyl-1,2-oxazolidine.

Molecular Properties

Compound Name5-chloro-2-methyl-4-nitro-3-phenyl-1,2-oxazolidine
PubChem CID13127067
Molecular FormulaC10H11ClN2O3
Molecular Weight242.66 g/mol
Exact Mass242.05
IUPAC Name5-chloro-2-methyl-4-nitro-3-phenyl-1,2-oxazolidine
SMILESCN1OC(Cl)C([N+](=O)[O-])C1c1ccccc1
InChIInChI=1S/C10H11ClN2O3/c1-12-8(7-5-3-2-4-6-7)9(13(14)15)10(11)16-12/h2-6,8-10H,1H3
InChIKeyKXQNLKHDAWAKOQ-UHFFFAOYSA-N
XLogP1.81
TPSA55.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.66
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3S,4R,5S)-5-methyl-4-nitro-3-phenyl-2-propan-2-yl-1,2-oxazolidine
CID 10037741
(3R,4R,5S)-3-(4-chlorophenyl)-4-nitro-2,5-diphenyl-1,2-oxazolidine
CID 101437229
(3S,4R)-2,5-dimethyl-3a-nitro-3,4-diphenyl-4,6a-dihydro-3H-[1,2]oxazolo[4,5-d][1,2]oxazole
CID 13127066
(3R,4S,5R)-5-(iodomethyl)-2,4-dimethyl-3-phenyl-1,2-oxazolidine
CID 10686939
(3S,4S,5R)-5-(benzenesulfonyl)-2-(4-methylphenyl)-4-nitro-3-phenyl-1,2-oxazolidine
CID 10764793
(2S,3R,4S,5S,6R)-3-ethyl-2-hydroxy-5-nitro-4,6-diphenylpiperidine-1-carbaldehyde
CID 102598308
(3S,4R,5S)-2-benzyl-3,5-dimethyl-4-nitro-1,2-oxazolidine
CID 10421612
(3S,4S,5R)-4-(benzenesulfonyl)-2-methyl-3,5-diphenyl-1,2-oxazolidine
CID 124813963
(3R,4R,5S)-2-methyl-3,5-diphenyl-1,2-oxazolidine-4-carbonitrile
CID 101455931
(3S,4S)-4-hydroxy-2-methyl-3-phenyl-1,2-oxazolidin-5-one
CID 130977904
ethyl 3-(1,3-benzodioxol-5-yl)-1-methyl-4-nitro-5-phenylpyrrolidine-2-carboxylate
CID 56694859
(3S,4S,5R)-3-(cyclopropylmethyl)-1-[(4-methoxyphenyl)methyl]-4-nitro-5-phenylpyrrolidin-2-one
CID 154598200

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methyl-4-nitro-3-phenyl-1,2-oxazolidine?
The IUPAC name of 5-chloro-2-methyl-4-nitro-3-phenyl-1,2-oxazolidine (CID 13127067) is 5-chloro-2-methyl-4-nitro-3-phenyl-1,2-oxazolidine.
What is the SMILES notation for 5-chloro-2-methyl-4-nitro-3-phenyl-1,2-oxazolidine?
The canonical SMILES for 5-chloro-2-methyl-4-nitro-3-phenyl-1,2-oxazolidine is CN1OC(Cl)C([N+](=O)[O-])C1c1ccccc1.
What is the InChIKey of 5-chloro-2-methyl-4-nitro-3-phenyl-1,2-oxazolidine?
The InChIKey is KXQNLKHDAWAKOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O3/c1-12-8(7-5-3-2-4-6-7)9(13(14)15)10(11)16-12/h2-6,8-10H,1H3.
What are the key properties of 5-chloro-2-methyl-4-nitro-3-phenyl-1,2-oxazolidine?
5-chloro-2-methyl-4-nitro-3-phenyl-1,2-oxazolidine has a molecular weight of 242.66 g/mol, XLogP of 1.81, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methyl-4-nitro-3-phenyl-1,2-oxazolidine is sourced from PubChem (CID 13127067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).