3-methoxyaniline;N-[[3-(3-methoxy-4-phenylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

C26H29N3O5 — CID 161221524

IUPAC3-methoxyaniline;N-[[3-(3-methoxy-4-phenylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCOc1cc(N2CC(CNC(C)=O)OC2=O)ccc1-c1ccccc1.COc1cccc(N)c1
InChIInChI=1S/C19H20N2O4.C7H9NO/c1-13(22)20-11-16-12-21(19(23)25-16)15-8-9-17(18(10-15)24-2)14-6-4-3-5-7-14;1-9-7-4-2-3-6(8)5-7/h3-10,16H,11-12H2,1-2H3,(H,20,22);2-5H,8H2,1H3
InChIKeyUXOOOCCSFVDYIH-UHFFFAOYSA-N
MW463.53 g/mol
LogP4.10
Rot. Bonds6

About 3-methoxyaniline;N-[[3-(3-methoxy-4-phenylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

3-methoxyaniline;N-[[3-(3-methoxy-4-phenylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 161221524) has the molecular formula C26H29N3O5 and a molecular weight of 463.53 g/mol. Its IUPAC name is 3-methoxyaniline;N-[[3-(3-methoxy-4-phenylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound Name3-methoxyaniline;N-[[3-(3-methoxy-4-phenylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID161221524
Molecular FormulaC26H29N3O5
Molecular Weight463.53 g/mol
Exact Mass463.21
IUPAC Name3-methoxyaniline;N-[[3-(3-methoxy-4-phenylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCOc1cc(N2CC(CNC(C)=O)OC2=O)ccc1-c1ccccc1.COc1cccc(N)c1
InChIInChI=1S/C19H20N2O4.C7H9NO/c1-13(22)20-11-16-12-21(19(23)25-16)15-8-9-17(18(10-15)24-2)14-6-4-3-5-7-14;1-9-7-4-2-3-6(8)5-7/h3-10,16H,11-12H2,1-2H3,(H,20,22);2-5H,8H2,1H3
InChIKeyUXOOOCCSFVDYIH-UHFFFAOYSA-N
XLogP4.10
TPSA103.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.53
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[[(5S)-3-(4-iodo-3-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 57270308
3-chloroaniline;N-[[3-(3-chloro-4-pyridin-3-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 157419569
N-[(3-naphthalen-2-yl-2-oxo-1,3-oxazolidin-5-yl)methyl]acetamide
CID 19012489
N-[[3-(3,4-dimethylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 20666078
N-[[3-[3-fluoro-4-(3-fluorophenyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 142987396
N-[[3-(3-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-phenoxypropanamide
CID 110327898
but-2-yne;ethane;N-[[(5S)-2-oxo-3-phenyl-1,3-oxazolidin-5-yl]methyl]acetamide
CID 90796180
N-[[3-(3-chloro-4-pyridin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 19418145
N-[[(5S)-3-(4-amino-3-hydroxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 54229929
2-[3-(3-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]acetic acid
CID 115003677
N-[[3-(3-fluoro-4-pyridin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 10381901
N-[[3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-methoxybenzamide
CID 16921029

Frequently Asked Questions

What is the IUPAC name of 3-methoxyaniline;N-[[3-(3-methoxy-4-phenylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of 3-methoxyaniline;N-[[3-(3-methoxy-4-phenylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 161221524) is 3-methoxyaniline;N-[[3-(3-methoxy-4-phenylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.
What is the SMILES notation for 3-methoxyaniline;N-[[3-(3-methoxy-4-phenylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for 3-methoxyaniline;N-[[3-(3-methoxy-4-phenylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is COc1cc(N2CC(CNC(C)=O)OC2=O)ccc1-c1ccccc1.COc1cccc(N)c1.
What is the InChIKey of 3-methoxyaniline;N-[[3-(3-methoxy-4-phenylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is UXOOOCCSFVDYIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4.C7H9NO/c1-13(22)20-11-16-12-21(19(23)25-16)15-8-9-17(18(10-15)24-2)14-6-4-3-5-7-14;1-9-7-4-2-3-6(8)5-7/h3-10,16H,11-12H2,1-2H3,(H,20,22);2-5H,8H2,1H3.
What are the key properties of 3-methoxyaniline;N-[[3-(3-methoxy-4-phenylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
3-methoxyaniline;N-[[3-(3-methoxy-4-phenylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 463.53 g/mol, XLogP of 4.10, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxyaniline;N-[[3-(3-methoxy-4-phenylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 161221524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).