3-(hydroxymethyl)-1-[(E)-[5-[4-(methoxyamino)phenyl]furan-2-yl]methylideneamino]imidazolidine-2,4-dione

C16H16N4O5 — CID 142563430

IUPAC3-(hydroxymethyl)-1-[(E)-[5-[4-(methoxyamino)phenyl]furan-2-yl]methylideneamino]imidazolidine-2,4-dione
SMILESCONc1ccc(-c2ccc(/C=N/N3CC(=O)N(CO)C3=O)o2)cc1
InChIInChI=1S/C16H16N4O5/c1-24-18-12-4-2-11(3-5-12)14-7-6-13(25-14)8-17-20-9-15(22)19(10-21)16(20)23/h2-8,18,21H,9-10H2,1H3/b17-8+
InChIKeyTYCASMVHXLFDAY-CAOOACKPSA-N
MW344.33 g/mol
LogP1.47
Rot. Bonds6

About 3-(hydroxymethyl)-1-[(E)-[5-[4-(methoxyamino)phenyl]furan-2-yl]methylideneamino]imidazolidine-2,4-dione

3-(hydroxymethyl)-1-[(E)-[5-[4-(methoxyamino)phenyl]furan-2-yl]methylideneamino]imidazolidine-2,4-dione (PubChem CID 142563430) has the molecular formula C16H16N4O5 and a molecular weight of 344.33 g/mol. Its IUPAC name is 3-(hydroxymethyl)-1-[(E)-[5-[4-(methoxyamino)phenyl]furan-2-yl]methylideneamino]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-(hydroxymethyl)-1-[(E)-[5-[4-(methoxyamino)phenyl]furan-2-yl]methylideneamino]imidazolidine-2,4-dione
PubChem CID142563430
Molecular FormulaC16H16N4O5
Molecular Weight344.33 g/mol
Exact Mass344.11
IUPAC Name3-(hydroxymethyl)-1-[(E)-[5-[4-(methoxyamino)phenyl]furan-2-yl]methylideneamino]imidazolidine-2,4-dione
SMILESCONc1ccc(-c2ccc(/C=N/N3CC(=O)N(CO)C3=O)o2)cc1
InChIInChI=1S/C16H16N4O5/c1-24-18-12-4-2-11(3-5-12)14-7-6-13(25-14)8-17-20-9-15(22)19(10-21)16(20)23/h2-8,18,21H,9-10H2,1H3/b17-8+
InChIKeyTYCASMVHXLFDAY-CAOOACKPSA-N
XLogP1.47
TPSA107.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.33
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[3-[(E)-[5-[4-(methoxyamino)phenyl]furan-2-yl]methylideneamino]-2,5-dioxoimidazolidin-1-yl]methyl 2-aminoacetate
CID 138574610
1-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-3-(3-chloropropyl)imidazolidine-2,4-dione
CID 19375579
1-[[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-3-[4-(4-methylpiperazin-1-yl)butyl]imidazolidine-2,4-dione;hydrochloride
CID 66831807
bis((Z)-but-2-enedioic acid);1-[[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-3-[4-(4-methylpiperazin-1-yl)butyl]imidazolidine-2,4-dione
CID 86749076
[3-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]-2,5-dioxoimidazolidin-1-yl]methyl 4-amino-4-oxobutanoate
CID 172941817
3-(2-hydroxyethyl)-1-[(5-nitrofuran-2-yl)methylideneamino]imidazolidine-2,4-dione
CID 154206915
3-(hydroxymethyl)-1-[(E)-(5-nitrofuran-2-yl)methylideneamino]imidazolidine-2,4-dione;[(2R,3S)-3-methyloxiran-2-yl]phosphonic acid
CID 174806147
1-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-3-[4-[4-[(2S)-2-hydroxy-2-phenylethyl]piperazin-1-yl]butyl]imidazolidine-2,4-dione
CID 118705976
3-(2-aminopropanoyl)-1-[(Z)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]imidazolidine-2,4-dione;hydrochloride
CID 24839038
tert-butyl N-[1-[3-[[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]-2,5-dioxoimidazolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]carbamate
CID 70633334
1-[(E)-[5-(4-azidophenyl)furan-2-yl]methylideneamino]imidazolidine-2,4-dione
CID 10448086
methyl 4-[5-(1,2,4-triazol-4-yliminomethyl)furan-2-yl]benzoate
CID 3784898

Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethyl)-1-[(E)-[5-[4-(methoxyamino)phenyl]furan-2-yl]methylideneamino]imidazolidine-2,4-dione?
The IUPAC name of 3-(hydroxymethyl)-1-[(E)-[5-[4-(methoxyamino)phenyl]furan-2-yl]methylideneamino]imidazolidine-2,4-dione (CID 142563430) is 3-(hydroxymethyl)-1-[(E)-[5-[4-(methoxyamino)phenyl]furan-2-yl]methylideneamino]imidazolidine-2,4-dione.
What is the SMILES notation for 3-(hydroxymethyl)-1-[(E)-[5-[4-(methoxyamino)phenyl]furan-2-yl]methylideneamino]imidazolidine-2,4-dione?
The canonical SMILES for 3-(hydroxymethyl)-1-[(E)-[5-[4-(methoxyamino)phenyl]furan-2-yl]methylideneamino]imidazolidine-2,4-dione is CONc1ccc(-c2ccc(/C=N/N3CC(=O)N(CO)C3=O)o2)cc1.
What is the InChIKey of 3-(hydroxymethyl)-1-[(E)-[5-[4-(methoxyamino)phenyl]furan-2-yl]methylideneamino]imidazolidine-2,4-dione?
The InChIKey is TYCASMVHXLFDAY-CAOOACKPSA-N. The full InChI is InChI=1S/C16H16N4O5/c1-24-18-12-4-2-11(3-5-12)14-7-6-13(25-14)8-17-20-9-15(22)19(10-21)16(20)23/h2-8,18,21H,9-10H2,1H3/b17-8+.
What are the key properties of 3-(hydroxymethyl)-1-[(E)-[5-[4-(methoxyamino)phenyl]furan-2-yl]methylideneamino]imidazolidine-2,4-dione?
3-(hydroxymethyl)-1-[(E)-[5-[4-(methoxyamino)phenyl]furan-2-yl]methylideneamino]imidazolidine-2,4-dione has a molecular weight of 344.33 g/mol, XLogP of 1.47, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethyl)-1-[(E)-[5-[4-(methoxyamino)phenyl]furan-2-yl]methylideneamino]imidazolidine-2,4-dione is sourced from PubChem (CID 142563430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).