3-[[3-[4-(difluoromethoxy)-3-methoxyphenyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-5-thiophen-2-ylimidazolidine-2,4-dione

C19H16F2N4O5S — CID 55480925

IUPAC3-[[3-[4-(difluoromethoxy)-3-methoxyphenyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-5-thiophen-2-ylimidazolidine-2,4-dione
SMILESCOc1cc(-c2noc(CN3C(=O)NC(C)(c4cccs4)C3=O)n2)ccc1OC(F)F
InChIInChI=1S/C19H16F2N4O5S/c1-19(13-4-3-7-31-13)16(26)25(18(27)23-19)9-14-22-15(24-30-14)10-5-6-11(29-17(20)21)12(8-10)28-2/h3-8,17H,9H2,1-2H3,(H,23,27)
InChIKeyFDUSBZUSVTUAHX-UHFFFAOYSA-N
MW450.42 g/mol
LogP3.38
Rot. Bonds7

About 3-[[3-[4-(difluoromethoxy)-3-methoxyphenyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-5-thiophen-2-ylimidazolidine-2,4-dione

3-[[3-[4-(difluoromethoxy)-3-methoxyphenyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-5-thiophen-2-ylimidazolidine-2,4-dione (PubChem CID 55480925) has the molecular formula C19H16F2N4O5S and a molecular weight of 450.42 g/mol. Its IUPAC name is 3-[[3-[4-(difluoromethoxy)-3-methoxyphenyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-5-thiophen-2-ylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[[3-[4-(difluoromethoxy)-3-methoxyphenyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-5-thiophen-2-ylimidazolidine-2,4-dione
PubChem CID55480925
Molecular FormulaC19H16F2N4O5S
Molecular Weight450.42 g/mol
Exact Mass450.08
IUPAC Name3-[[3-[4-(difluoromethoxy)-3-methoxyphenyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-5-thiophen-2-ylimidazolidine-2,4-dione
SMILESCOc1cc(-c2noc(CN3C(=O)NC(C)(c4cccs4)C3=O)n2)ccc1OC(F)F
InChIInChI=1S/C19H16F2N4O5S/c1-19(13-4-3-7-31-13)16(26)25(18(27)23-19)9-14-22-15(24-30-14)10-5-6-11(29-17(20)21)12(8-10)28-2/h3-8,17H,9H2,1-2H3,(H,23,27)
InChIKeyFDUSBZUSVTUAHX-UHFFFAOYSA-N
XLogP3.38
TPSA106.79 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.42
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

5-(3,4-dimethoxyphenyl)-3-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methylimidazolidine-2,4-dione
CID 47094335
(5R)-3-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-5-(2-methylpropyl)imidazolidine-2,4-dione
CID 124631510
3-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5,5-dipropylimidazolidine-2,4-dione
CID 32546193
1-[3-[4-(difluoromethoxy)-3-methoxyphenyl]-1,2,4-oxadiazol-5-yl]-N-methylmethanamine;hydrochloride
CID 119947800
3-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-5-phenylimidazolidine-2,4-dione
CID 47094332
(5R)-3-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-[2-(4-methoxyphenyl)ethyl]-5-methylimidazolidine-2,4-dione
CID 40891442
5-[4-(difluoromethoxy)phenyl]-5-methyl-3-[[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]methyl]imidazolidine-2,4-dione
CID 55604328
1-[[3-[4-(difluoromethoxy)-3-methoxyphenyl]-1,2,4-oxadiazol-5-yl]methyl]-5-nitropyridin-2-one
CID 55445343
2-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]isoindole-1,3-dione
CID 17423413
1-[[3-[4-(difluoromethoxy)-3-methoxyphenyl]-1,2,4-oxadiazol-5-yl]methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120775991
3-[4-(difluoromethoxy)-3-methoxyphenyl]-5-[(2-methylphenyl)sulfanylmethyl]-1,2,4-oxadiazole
CID 52728099
(5S)-3-[[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-5-phenylimidazolidine-2,4-dione
CID 92786855

Frequently Asked Questions

What is the IUPAC name of 3-[[3-[4-(difluoromethoxy)-3-methoxyphenyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-5-thiophen-2-ylimidazolidine-2,4-dione?
The IUPAC name of 3-[[3-[4-(difluoromethoxy)-3-methoxyphenyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-5-thiophen-2-ylimidazolidine-2,4-dione (CID 55480925) is 3-[[3-[4-(difluoromethoxy)-3-methoxyphenyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-5-thiophen-2-ylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[[3-[4-(difluoromethoxy)-3-methoxyphenyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-5-thiophen-2-ylimidazolidine-2,4-dione?
The canonical SMILES for 3-[[3-[4-(difluoromethoxy)-3-methoxyphenyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-5-thiophen-2-ylimidazolidine-2,4-dione is COc1cc(-c2noc(CN3C(=O)NC(C)(c4cccs4)C3=O)n2)ccc1OC(F)F.
What is the InChIKey of 3-[[3-[4-(difluoromethoxy)-3-methoxyphenyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-5-thiophen-2-ylimidazolidine-2,4-dione?
The InChIKey is FDUSBZUSVTUAHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N4O5S/c1-19(13-4-3-7-31-13)16(26)25(18(27)23-19)9-14-22-15(24-30-14)10-5-6-11(29-17(20)21)12(8-10)28-2/h3-8,17H,9H2,1-2H3,(H,23,27).
What are the key properties of 3-[[3-[4-(difluoromethoxy)-3-methoxyphenyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-5-thiophen-2-ylimidazolidine-2,4-dione?
3-[[3-[4-(difluoromethoxy)-3-methoxyphenyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-5-thiophen-2-ylimidazolidine-2,4-dione has a molecular weight of 450.42 g/mol, XLogP of 3.38, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-[4-(difluoromethoxy)-3-methoxyphenyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-5-thiophen-2-ylimidazolidine-2,4-dione is sourced from PubChem (CID 55480925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).