(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-(4-nitrophenoxy)-2-phenylacetamide

C18H15N3O5 — CID 40812379

IUPAC(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-(4-nitrophenoxy)-2-phenylacetamide
SMILESCc1cc(NC(=O)[C@@H](Oc2ccc([N+](=O)[O-])cc2)c2ccccc2)no1
InChIInChI=1S/C18H15N3O5/c1-12-11-16(20-26-12)19-18(22)17(13-5-3-2-4-6-13)25-15-9-7-14(8-10-15)21(23)24/h2-11,17H,1H3,(H,19,20,22)/t17-/m0/s1
InChIKeyVMFSPJYEZNKXRJ-KRWDZBQOSA-N
MW353.33 g/mol
LogP3.65
Rot. Bonds6

About (2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-(4-nitrophenoxy)-2-phenylacetamide

(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-(4-nitrophenoxy)-2-phenylacetamide (PubChem CID 40812379) has the molecular formula C18H15N3O5 and a molecular weight of 353.33 g/mol. Its IUPAC name is (2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-(4-nitrophenoxy)-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-(4-nitrophenoxy)-2-phenylacetamide
PubChem CID40812379
Molecular FormulaC18H15N3O5
Molecular Weight353.33 g/mol
Exact Mass353.10
IUPAC Name(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-(4-nitrophenoxy)-2-phenylacetamide
SMILESCc1cc(NC(=O)[C@@H](Oc2ccc([N+](=O)[O-])cc2)c2ccccc2)no1
InChIInChI=1S/C18H15N3O5/c1-12-11-16(20-26-12)19-18(22)17(13-5-3-2-4-6-13)25-15-9-7-14(8-10-15)21(23)24/h2-11,17H,1H3,(H,19,20,22)/t17-/m0/s1
InChIKeyVMFSPJYEZNKXRJ-KRWDZBQOSA-N
XLogP3.65
TPSA107.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.33
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

(2R)-N-(2,5-dimethylphenyl)-2-(4-nitrophenoxy)-2-phenylacetamide
CID 7816653
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] 5-nitro-1-benzothiophene-2-carboxylate
CID 46644835
(2S)-N-(2-methoxy-5-methylphenyl)-2-(4-nitrophenoxy)-2-phenylacetamide
CID 2632132
(2R)-2-(2-methoxy-4-methylphenoxy)-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide
CID 40882138
(2R)-2-(4-nitrophenoxy)-1,2-diphenylethanone
CID 7816651
(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]-2-phenylacetamide
CID 28874019
[(1S)-2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] 5-methylfuran-2-carboxylate
CID 40798708
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] 5-methylfuran-2-carboxylate
CID 17437026
2-(4-benzoylphenoxy)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 17394443
[(1R)-2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] 3-nitro-4-pyrrolidin-1-ylbenzoate
CID 27310592
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] 3,5-difluorobenzoate
CID 46644893
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] 4-fluorobenzoate
CID 17415012

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-(4-nitrophenoxy)-2-phenylacetamide?
The IUPAC name of (2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-(4-nitrophenoxy)-2-phenylacetamide (CID 40812379) is (2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-(4-nitrophenoxy)-2-phenylacetamide.
What is the SMILES notation for (2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-(4-nitrophenoxy)-2-phenylacetamide?
The canonical SMILES for (2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-(4-nitrophenoxy)-2-phenylacetamide is Cc1cc(NC(=O)[C@@H](Oc2ccc([N+](=O)[O-])cc2)c2ccccc2)no1.
What is the InChIKey of (2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-(4-nitrophenoxy)-2-phenylacetamide?
The InChIKey is VMFSPJYEZNKXRJ-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H15N3O5/c1-12-11-16(20-26-12)19-18(22)17(13-5-3-2-4-6-13)25-15-9-7-14(8-10-15)21(23)24/h2-11,17H,1H3,(H,19,20,22)/t17-/m0/s1.
What are the key properties of (2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-(4-nitrophenoxy)-2-phenylacetamide?
(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-(4-nitrophenoxy)-2-phenylacetamide has a molecular weight of 353.33 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-(4-nitrophenoxy)-2-phenylacetamide is sourced from PubChem (CID 40812379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).