3-[(E)-3-(3-methoxyanilino)prop-1-enyl]-1,3-oxazolidin-2-one

C13H16N2O3 — CID 46894957

IUPAC3-[(E)-3-(3-methoxyanilino)prop-1-enyl]-1,3-oxazolidin-2-one
SMILESCOc1cccc(NC/C=C/N2CCOC2=O)c1
InChIInChI=1S/C13H16N2O3/c1-17-12-5-2-4-11(10-12)14-6-3-7-15-8-9-18-13(15)16/h2-5,7,10,14H,6,8-9H2,1H3/b7-3+
InChIKeyGUJGHZUNNIYKNS-XVNBXDOJSA-N
MW248.28 g/mol
LogP2.07
Rot. Bonds5

About 3-[(E)-3-(3-methoxyanilino)prop-1-enyl]-1,3-oxazolidin-2-one

3-[(E)-3-(3-methoxyanilino)prop-1-enyl]-1,3-oxazolidin-2-one (PubChem CID 46894957) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 3-[(E)-3-(3-methoxyanilino)prop-1-enyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[(E)-3-(3-methoxyanilino)prop-1-enyl]-1,3-oxazolidin-2-one
PubChem CID46894957
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name3-[(E)-3-(3-methoxyanilino)prop-1-enyl]-1,3-oxazolidin-2-one
SMILESCOc1cccc(NC/C=C/N2CCOC2=O)c1
InChIInChI=1S/C13H16N2O3/c1-17-12-5-2-4-11(10-12)14-6-3-7-15-8-9-18-13(15)16/h2-5,7,10,14H,6,8-9H2,1H3/b7-3+
InChIKeyGUJGHZUNNIYKNS-XVNBXDOJSA-N
XLogP2.07
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (E)-4-(3-methoxyanilino)but-2-enoate
CID 115032548
ethyl (E)-4-(3-methoxyanilino)but-2-enoate
CID 80546156
ethane;N-ethyl-3-methoxyaniline
CID 142222302
N-[2-(azepan-1-yl)ethyl]-3-methoxyaniline
CID 54807048
3-[2-(3-methoxyphenyl)ethynyl]-1,3-oxazolidin-2-one
CID 102450789
2-(3-methoxyphenyl)-N-[3-(2-oxo-1,3-oxazolidin-3-yl)propyl]acetamide
CID 110719290
N'-(3-methoxyphenyl)-N-phenylethane-1,2-diamine
CID 54806261
2-(3-methoxyanilino)-1-(4-methoxyphenyl)ethanone
CID 1133350
4-[3-(3-methoxyanilino)propanoyl]piperazine-1-carbaldehyde
CID 109017872
ethyl 4-[2-(3-methoxyanilino)acetyl]piperazine-1-carboxylate
CID 109003882
2-(3-methoxyanilino)-N-(2-morpholin-4-ylphenyl)acetamide
CID 109009056
3,4-bis(3-methoxyanilino)cyclobut-3-ene-1,2-dione
CID 2824412

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-3-(3-methoxyanilino)prop-1-enyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[(E)-3-(3-methoxyanilino)prop-1-enyl]-1,3-oxazolidin-2-one (CID 46894957) is 3-[(E)-3-(3-methoxyanilino)prop-1-enyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[(E)-3-(3-methoxyanilino)prop-1-enyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[(E)-3-(3-methoxyanilino)prop-1-enyl]-1,3-oxazolidin-2-one is COc1cccc(NC/C=C/N2CCOC2=O)c1.
What is the InChIKey of 3-[(E)-3-(3-methoxyanilino)prop-1-enyl]-1,3-oxazolidin-2-one?
The InChIKey is GUJGHZUNNIYKNS-XVNBXDOJSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-17-12-5-2-4-11(10-12)14-6-3-7-15-8-9-18-13(15)16/h2-5,7,10,14H,6,8-9H2,1H3/b7-3+.
What are the key properties of 3-[(E)-3-(3-methoxyanilino)prop-1-enyl]-1,3-oxazolidin-2-one?
3-[(E)-3-(3-methoxyanilino)prop-1-enyl]-1,3-oxazolidin-2-one has a molecular weight of 248.28 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-3-(3-methoxyanilino)prop-1-enyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 46894957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).