(2R)-2-[3-(4-methoxyphenyl)oxaziridin-2-yl]-2-phenylacetamide

C16H16N2O3 — CID 11087311

IUPAC(2R)-2-[3-(4-methoxyphenyl)oxaziridin-2-yl]-2-phenylacetamide
SMILESCOc1ccc(C2ON2[C@@H](C(N)=O)c2ccccc2)cc1
InChIInChI=1S/C16H16N2O3/c1-20-13-9-7-12(8-10-13)16-18(21-16)14(15(17)19)11-5-3-2-4-6-11/h2-10,14,16H,1H3,(H2,17,19)/t14-,16?,18?/m1/s1
InChIKeyNBPOAGZDCBNCFZ-MXWWQKGMSA-N
MW284.32 g/mol
LogP2.17
Rot. Bonds5

About (2R)-2-[3-(4-methoxyphenyl)oxaziridin-2-yl]-2-phenylacetamide

(2R)-2-[3-(4-methoxyphenyl)oxaziridin-2-yl]-2-phenylacetamide (PubChem CID 11087311) has the molecular formula C16H16N2O3 and a molecular weight of 284.32 g/mol. Its IUPAC name is (2R)-2-[3-(4-methoxyphenyl)oxaziridin-2-yl]-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-2-[3-(4-methoxyphenyl)oxaziridin-2-yl]-2-phenylacetamide
PubChem CID11087311
Molecular FormulaC16H16N2O3
Molecular Weight284.32 g/mol
Exact Mass284.12
IUPAC Name(2R)-2-[3-(4-methoxyphenyl)oxaziridin-2-yl]-2-phenylacetamide
SMILESCOc1ccc(C2ON2[C@@H](C(N)=O)c2ccccc2)cc1
InChIInChI=1S/C16H16N2O3/c1-20-13-9-7-12(8-10-13)16-18(21-16)14(15(17)19)11-5-3-2-4-6-11/h2-10,14,16H,1H3,(H2,17,19)/t14-,16?,18?/m1/s1
InChIKeyNBPOAGZDCBNCFZ-MXWWQKGMSA-N
XLogP2.17
TPSA67.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

methyl (2S)-2-[3-(4-methoxyphenyl)oxaziridin-2-yl]propanoate
CID 101388318
N-(2-amino-2-oxo-1-phenylethyl)-4-methoxybenzamide
CID 51315270
[(S)-(4-methoxyphenyl)-phenylmethyl]urea
CID 870966
(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylacetamide
CID 92642329
(2R)-2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-phenylacetamide
CID 25384402
1-[(1R)-2-hydroxy-1-phenylethyl]-2-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 140736987
1-(4-methoxyphenyl)-2-morpholin-4-yl-2-phenylethanone
CID 644374
2-amino-2-(4-methoxyphenyl)acetamide
CID 14569003
(2S)-2-amino-2-(4-methoxyphenyl)acetamide
CID 54341108
2-[(4-methoxyphenyl)methyl-methylamino]-2-phenylacetamide
CID 42895030
(2S)-2-amino-2-phenylacetamide;1-(4-methoxyphenyl)propan-2-one
CID 164976966
(3R,4S)-3-amino-1-benzhydryl-4-(4-methoxyphenyl)azetidin-2-one
CID 54028985

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[3-(4-methoxyphenyl)oxaziridin-2-yl]-2-phenylacetamide?
The IUPAC name of (2R)-2-[3-(4-methoxyphenyl)oxaziridin-2-yl]-2-phenylacetamide (CID 11087311) is (2R)-2-[3-(4-methoxyphenyl)oxaziridin-2-yl]-2-phenylacetamide.
What is the SMILES notation for (2R)-2-[3-(4-methoxyphenyl)oxaziridin-2-yl]-2-phenylacetamide?
The canonical SMILES for (2R)-2-[3-(4-methoxyphenyl)oxaziridin-2-yl]-2-phenylacetamide is COc1ccc(C2ON2[C@@H](C(N)=O)c2ccccc2)cc1.
What is the InChIKey of (2R)-2-[3-(4-methoxyphenyl)oxaziridin-2-yl]-2-phenylacetamide?
The InChIKey is NBPOAGZDCBNCFZ-MXWWQKGMSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-20-13-9-7-12(8-10-13)16-18(21-16)14(15(17)19)11-5-3-2-4-6-11/h2-10,14,16H,1H3,(H2,17,19)/t14-,16?,18?/m1/s1.
What are the key properties of (2R)-2-[3-(4-methoxyphenyl)oxaziridin-2-yl]-2-phenylacetamide?
(2R)-2-[3-(4-methoxyphenyl)oxaziridin-2-yl]-2-phenylacetamide has a molecular weight of 284.32 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[3-(4-methoxyphenyl)oxaziridin-2-yl]-2-phenylacetamide is sourced from PubChem (CID 11087311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).