5-[4-(difluoromethoxy)phenyl]-5-methyl-3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]imidazolidine-2,4-dione

C19H15F2N3O4S — CID 112787633

IUPAC5-[4-(difluoromethoxy)phenyl]-5-methyl-3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]imidazolidine-2,4-dione
SMILESCC1(c2ccc(OC(F)F)cc2)NC(=O)N(Cc2coc(-c3cccs3)n2)C1=O
InChIInChI=1S/C19H15F2N3O4S/c1-19(11-4-6-13(7-5-11)28-17(20)21)16(25)24(18(26)23-19)9-12-10-27-15(22-12)14-3-2-8-29-14/h2-8,10,17H,9H2,1H3,(H,23,26)
InChIKeyBGAPSFONHKTGOO-UHFFFAOYSA-N
MW419.41 g/mol
LogP3.97
Rot. Bonds6

About 5-[4-(difluoromethoxy)phenyl]-5-methyl-3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]imidazolidine-2,4-dione

5-[4-(difluoromethoxy)phenyl]-5-methyl-3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]imidazolidine-2,4-dione (PubChem CID 112787633) has the molecular formula C19H15F2N3O4S and a molecular weight of 419.41 g/mol. Its IUPAC name is 5-[4-(difluoromethoxy)phenyl]-5-methyl-3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[4-(difluoromethoxy)phenyl]-5-methyl-3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]imidazolidine-2,4-dione
PubChem CID112787633
Molecular FormulaC19H15F2N3O4S
Molecular Weight419.41 g/mol
Exact Mass419.08
IUPAC Name5-[4-(difluoromethoxy)phenyl]-5-methyl-3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]imidazolidine-2,4-dione
SMILESCC1(c2ccc(OC(F)F)cc2)NC(=O)N(Cc2coc(-c3cccs3)n2)C1=O
InChIInChI=1S/C19H15F2N3O4S/c1-19(11-4-6-13(7-5-11)28-17(20)21)16(25)24(18(26)23-19)9-12-10-27-15(22-12)14-3-2-8-29-14/h2-8,10,17H,9H2,1H3,(H,23,26)
InChIKeyBGAPSFONHKTGOO-UHFFFAOYSA-N
XLogP3.97
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.41
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-[4-(difluoromethoxy)phenyl]-5-methyl-3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]imidazolidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5S)-5-methyl-5-(4-methylphenyl)-3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]imidazolidine-2,4-dione
CID 41075128
5-methyl-5-(4-nitrophenyl)-3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]imidazolidine-2,4-dione
CID 78766976
(5R)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]imidazolidine-2,4-dione
CID 8891641
5-methyl-5-naphthalen-1-yl-3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]imidazolidine-2,4-dione
CID 112787610
(5S)-5-[2-(4-methoxyphenyl)ethyl]-5-methyl-3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]imidazolidine-2,4-dione
CID 41023001
5-[4-(difluoromethoxy)phenyl]-3-[(2-fluorophenyl)methyl]-5-methylimidazolidine-2,4-dione
CID 42964381
5-[4-(difluoromethoxy)phenyl]-5-methyl-3-[(3-propan-2-yloxyphenyl)methyl]imidazolidine-2,4-dione
CID 56684761
3-[(4-bromophenyl)methyl]-5-[4-(difluoromethoxy)phenyl]-5-methylimidazolidine-2,4-dione
CID 17404717
(5S)-5-[4-(difluoromethoxy)phenyl]-5-methyl-3-[(4-propan-2-ylphenyl)methyl]imidazolidine-2,4-dione
CID 7181454
5-[4-(difluoromethoxy)phenyl]-5-methyl-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]imidazolidine-2,4-dione
CID 112827970
2-[4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-thiophen-2-ylethylcarbamoyl)acetamide
CID 55384387
(5R)-3-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-5-methyl-5-pyridin-3-ylimidazolidine-2,4-dione
CID 96528280

Frequently Asked Questions

What is the IUPAC name of 5-[4-(difluoromethoxy)phenyl]-5-methyl-3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]imidazolidine-2,4-dione?
The IUPAC name of 5-[4-(difluoromethoxy)phenyl]-5-methyl-3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]imidazolidine-2,4-dione (CID 112787633) is 5-[4-(difluoromethoxy)phenyl]-5-methyl-3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-[4-(difluoromethoxy)phenyl]-5-methyl-3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-[4-(difluoromethoxy)phenyl]-5-methyl-3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]imidazolidine-2,4-dione is CC1(c2ccc(OC(F)F)cc2)NC(=O)N(Cc2coc(-c3cccs3)n2)C1=O.
What is the InChIKey of 5-[4-(difluoromethoxy)phenyl]-5-methyl-3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]imidazolidine-2,4-dione?
The InChIKey is BGAPSFONHKTGOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F2N3O4S/c1-19(11-4-6-13(7-5-11)28-17(20)21)16(25)24(18(26)23-19)9-12-10-27-15(22-12)14-3-2-8-29-14/h2-8,10,17H,9H2,1H3,(H,23,26).
What are the key properties of 5-[4-(difluoromethoxy)phenyl]-5-methyl-3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]imidazolidine-2,4-dione?
5-[4-(difluoromethoxy)phenyl]-5-methyl-3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]imidazolidine-2,4-dione has a molecular weight of 419.41 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(difluoromethoxy)phenyl]-5-methyl-3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 112787633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).